N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide

C14H27N3O — CID 60857198

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide
SMILESCCN1CCC(CNC(=O)C2CCCC(C)N2)C1
InChIInChI=1S/C14H27N3O/c1-3-17-8-7-12(10-17)9-15-14(18)13-6-4-5-11(2)16-13/h11-13,16H,3-10H2,1-2H3,(H,15,18)
InChIKeyMLCNPQWVZIPVMM-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide (PubChem CID 60857198) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide
PubChem CID60857198
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide
SMILESCCN1CCC(CNC(=O)C2CCCC(C)N2)C1
InChIInChI=1S/C14H27N3O/c1-3-17-8-7-12(10-17)9-15-14(18)13-6-4-5-11(2)16-13/h11-13,16H,3-10H2,1-2H3,(H,15,18)
InChIKeyMLCNPQWVZIPVMM-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Posatirelin
CID 71230
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
(2R)-N-cyclohexyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60053628
(3R,8aS)-Hexahydro-3-(1-methylethyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927560
Cyclo(D)-Pro-(D)-Val
CID 6545869
Cyclo(D-Pro-L-Val)
CID 6992260
1-(1-Methylpyrrolidine-2-carbonyl)piperazine
CID 19704824
Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108
Proline scaffold, 29
CID 42618126
Proline scaffold, 30
CID 42618127

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide (CID 60857198) is N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide is CCN1CCC(CNC(=O)C2CCCC(C)N2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide?
The InChIKey is MLCNPQWVZIPVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17-8-7-12(10-17)9-15-14(18)13-6-4-5-11(2)16-13/h11-13,16H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide is sourced from PubChem (CID 60857198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).