2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C18H34N4O — CID 143075408

IUPAC2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESNC(CN1CCCCC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H34N4O/c19-17(15-20-9-3-1-4-10-20)18(23)22-13-7-16(8-14-22)21-11-5-2-6-12-21/h16-17H,1-15,19H2
InChIKeyKFRUWAVKJXBUDB-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 143075408) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID143075408
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESNC(CN1CCCCC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H34N4O/c19-17(15-20-9-3-1-4-10-20)18(23)22-13-7-16(8-14-22)21-11-5-2-6-12-21/h16-17H,1-15,19H2
InChIKeyKFRUWAVKJXBUDB-UHFFFAOYSA-N
XLogP1.28
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
Piperazine, 1-(1-oxo-2-(1-piperidinyl)propyl)-4-(1-oxo-3-(1-piperidinyl)propyl)-, dihydrochloride
CID 24842221
1,2,3-Tri(piperidin-1-yl)butan-1-one
CID 246948
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
1-Piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229558
1-[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-4-methylpiperazin-2-one
CID 129133373
1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one
CID 138645801
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529
3-Piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
2-Piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 24842222
3-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 56843919

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 143075408) is 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is NC(CN1CCCCC1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is KFRUWAVKJXBUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c19-17(15-20-9-3-1-4-10-20)18(23)22-13-7-16(8-14-22)21-11-5-2-6-12-21/h16-17H,1-15,19H2.
What are the key properties of 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 322.50 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 143075408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).