2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide

C24H48N6O2 — CID 147456582

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCCC(OC)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)(C)C)C1
InChIInChI=1S/C24H48N6O2/c1-6-20(32-5)15-10-16(24(2,3)4)12-18(11-15)28-22-19(21(26)31)13-27-23(29-22)30-9-7-8-17(25)14-30/h15-20,22-23,27-29H,6-14,25H2,1-5H3,(H2,26,31)/t15?,16?,17-,18?,19?,20?,22?,23?/m0/s1
InChIKeyZCJJQPXMJZGGIZ-SDUBBTLISA-N
MW452.69 g/mol
LogP1.16
Rot. Bonds7

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide (PubChem CID 147456582) has the molecular formula C24H48N6O2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
PubChem CID147456582
Molecular FormulaC24H48N6O2
Molecular Weight452.69 g/mol
Exact Mass452.38
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide
SMILESCCC(OC)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)(C)C)C1
InChIInChI=1S/C24H48N6O2/c1-6-20(32-5)15-10-16(24(2,3)4)12-18(11-15)28-22-19(21(26)31)13-27-23(29-22)30-9-7-8-17(25)14-30/h15-20,22-23,27-29H,6-14,25H2,1-5H3,(H2,26,31)/t15?,16?,17-,18?,19?,20?,22?,23?/m0/s1
InChIKeyZCJJQPXMJZGGIZ-SDUBBTLISA-N
XLogP1.16
TPSA117.67 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.69
LogP ≤ 51.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide (CID 147456582) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide is CCC(OC)C1CC(NC2NC(N3CCC[C@H](N)C3)NCC2C(N)=O)CC(C(C)(C)C)C1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
The InChIKey is ZCJJQPXMJZGGIZ-SDUBBTLISA-N. The full InChI is InChI=1S/C24H48N6O2/c1-6-20(32-5)15-10-16(24(2,3)4)12-18(11-15)28-22-19(21(26)31)13-27-23(29-22)30-9-7-8-17(25)14-30/h15-20,22-23,27-29H,6-14,25H2,1-5H3,(H2,26,31)/t15?,16?,17-,18?,19?,20?,22?,23?/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide has a molecular weight of 452.69 g/mol, XLogP of 1.16, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[3-tert-butyl-5-(1-methoxypropyl)cyclohexyl]amino]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 147456582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).