1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one

C12H23N3O — CID 79730724

IUPAC1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
SMILESCC(NC1CCNC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O/c1-10(14-11-5-6-13-9-11)12(16)15-7-3-2-4-8-15/h10-11,13-14H,2-9H2,1H3
InChIKeyNRXAHTFLRZDOHK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds3

About 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one

1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one (PubChem CID 79730724) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
PubChem CID79730724
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
SMILESCC(NC1CCNC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O/c1-10(14-11-5-6-13-9-11)12(16)15-7-3-2-4-8-15/h10-11,13-14H,2-9H2,1H3
InChIKeyNRXAHTFLRZDOHK-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 115880387
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one (CID 79730724) is 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one is CC(NC1CCNC1)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
The InChIKey is NRXAHTFLRZDOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(14-11-5-6-13-9-11)12(16)15-7-3-2-4-8-15/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one is sourced from PubChem (CID 79730724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).