1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride

C16H29ClN4O2 — CID 119449955

IUPAC1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H28N4O2.ClH/c21-15(18-14-7-8-17-10-14)12-4-3-9-20(11-12)16(22)19-13-5-1-2-6-13;/h12-14,17H,1-11H2,(H,18,21)(H,19,22);1H
InChIKeyBKLJXKVTKBSOJB-UHFFFAOYSA-N
MW344.89 g/mol
LogP1.25
Rot. Bonds3

About 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride

1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119449955) has the molecular formula C16H29ClN4O2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119449955
Molecular FormulaC16H29ClN4O2
Molecular Weight344.89 g/mol
Exact Mass344.20
IUPAC Name1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H28N4O2.ClH/c21-15(18-14-7-8-17-10-14)12-4-3-9-20(11-12)16(22)19-13-5-1-2-6-13;/h12-14,17H,1-11H2,(H,18,21)(H,19,22);1H
InChIKeyBKLJXKVTKBSOJB-UHFFFAOYSA-N
XLogP1.25
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119425062
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
1-(cyclopropanecarbonyl)-N-piperidin-3-ylpiperidine-3-carboxamide
CID 119428284
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride (CID 119449955) is 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is BKLJXKVTKBSOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.ClH/c21-15(18-14-7-8-17-10-14)12-4-3-9-20(11-12)16(22)19-13-5-1-2-6-13;/h12-14,17H,1-11H2,(H,18,21)(H,19,22);1H.
What are the key properties of 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride?
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119449955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).