(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C16H30N10 — CID 58949364

IUPAC(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESC=CCNc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C16H30N10/c1-2-3-21-14-22-15(25-6-10(17)4-11(18)7-25)24-16(23-14)26-8-12(19)5-13(20)9-26/h2,10-13H,1,3-9,17-20H2,(H,21,22,23,24)/t10-,11+,12-,13+
InChIKeyUUICSFRCIYTWFT-MPZDIEGVSA-N
MW362.49 g/mol
LogP-1.80
Rot. Bonds5

About (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 58949364) has the molecular formula C16H30N10 and a molecular weight of 362.49 g/mol. Its IUPAC name is (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID58949364
Molecular FormulaC16H30N10
Molecular Weight362.49 g/mol
Exact Mass362.27
IUPAC Name(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESC=CCNc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C16H30N10/c1-2-3-21-14-22-15(25-6-10(17)4-11(18)7-25)24-16(23-14)26-8-12(19)5-13(20)9-26/h2,10-13H,1,3-9,17-20H2,(H,21,22,23,24)/t10-,11+,12-,13+
InChIKeyUUICSFRCIYTWFT-MPZDIEGVSA-N
XLogP-1.80
TPSA161.26 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104281
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104283
(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104290
(3S,5R)-1-[4-chloro-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418592
(3S,5R)-1-[4-amino-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418593
(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418601
(3S,5R)-1-[4-(cyclohexylamino)-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418614
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418615
Allyl-(4,6-di-piperidin-1-yl-[1,3,5]triazin-2-yl)-amine
CID 3107860
6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 13271703
2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 18619905
4-N,6-N-diethyl-2-N,2-N-bis(prop-2-enyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20148719

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 58949364) is (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is C=CCNc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1.
What is the InChIKey of (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is UUICSFRCIYTWFT-MPZDIEGVSA-N. The full InChI is InChI=1S/C16H30N10/c1-2-3-21-14-22-15(25-6-10(17)4-11(18)7-25)24-16(23-14)26-8-12(19)5-13(20)9-26/h2,10-13H,1,3-9,17-20H2,(H,21,22,23,24)/t10-,11+,12-,13+.
What are the key properties of (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 362.49 g/mol, XLogP of -1.80, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 58949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).