N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide

C14H25N3O — CID 55179292

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCN(C3CC3)C2)CCNCC1
InChIInChI=1S/C14H25N3O/c1-14(5-7-15-8-6-14)13(18)16-11-4-9-17(10-11)12-2-3-12/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyOSGRXVDMROXBMS-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds3

About N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide

N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 55179292) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide
PubChem CID55179292
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCN(C3CC3)C2)CCNCC1
InChIInChI=1S/C14H25N3O/c1-14(5-7-15-8-6-14)13(18)16-11-4-9-17(10-11)12-2-3-12/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyOSGRXVDMROXBMS-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide (CID 55179292) is N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)NC2CCN(C3CC3)C2)CCNCC1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is OSGRXVDMROXBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(5-7-15-8-6-14)13(18)16-11-4-9-17(10-11)12-2-3-12/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55179292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).