1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

C18H31N3O2 — CID 128945509

IUPAC1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(C(=O)C2CC2)C1)CN1CCCC1
InChIInChI=1S/C18H31N3O2/c1-14(12-20-8-2-3-9-20)11-19-17(22)16-5-4-10-21(13-16)18(23)15-6-7-15/h14-16H,2-13H2,1H3,(H,19,22)
InChIKeyBCDOHBKVFICARA-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.48
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 128945509) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID128945509
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(C(=O)C2CC2)C1)CN1CCCC1
InChIInChI=1S/C18H31N3O2/c1-14(12-20-8-2-3-9-20)11-19-17(22)16-5-4-10-21(13-16)18(23)15-6-7-15/h14-16H,2-13H2,1H3,(H,19,22)
InChIKeyBCDOHBKVFICARA-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
(3S)-1-ethylsulfonyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
CID 95875421
(3R)-1-ethylsulfonyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
CID 95875422
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
CID 103862358
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 102778898

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (CID 128945509) is 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is CC(CNC(=O)C1CCCN(C(=O)C2CC2)C1)CN1CCCC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is BCDOHBKVFICARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(12-20-8-2-3-9-20)11-19-17(22)16-5-4-10-21(13-16)18(23)15-6-7-15/h14-16H,2-13H2,1H3,(H,19,22).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 128945509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).