N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide

C15H25N3O — CID 106390774

IUPACN-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccn(C)c2)CCCNC1
InChIInChI=1S/C15H25N3O/c1-3-6-15(7-4-8-16-12-15)14(19)17-10-13-5-9-18(2)11-13/h5,9,11,16H,3-4,6-8,10,12H2,1-2H3,(H,17,19)
InChIKeySZDPXVZXKFQJCL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.81
Rot. Bonds5

About N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide

N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 106390774) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID106390774
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccn(C)c2)CCCNC1
InChIInChI=1S/C15H25N3O/c1-3-6-15(7-4-8-16-12-15)14(19)17-10-13-5-9-18(2)11-13/h5,9,11,16H,3-4,6-8,10,12H2,1-2H3,(H,17,19)
InChIKeySZDPXVZXKFQJCL-UHFFFAOYSA-N
XLogP1.81
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
CID 106390779
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide (CID 106390774) is N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2ccn(C)c2)CCCNC1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is SZDPXVZXKFQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-6-15(7-4-8-16-12-15)14(19)17-10-13-5-9-18(2)11-13/h5,9,11,16H,3-4,6-8,10,12H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide?
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 106390774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).