N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide

C15H25N3O — CID 106416484

IUPACN-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccn2C)CCCNC1
InChIInChI=1S/C15H25N3O/c1-3-7-15(8-5-9-16-12-15)14(19)17-11-13-6-4-10-18(13)2/h4,6,10,16H,3,5,7-9,11-12H2,1-2H3,(H,17,19)
InChIKeyHMGMYUSNPOXQRU-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.81
Rot. Bonds5

About N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide

N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 106416484) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID106416484
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccn2C)CCCNC1
InChIInChI=1S/C15H25N3O/c1-3-7-15(8-5-9-16-12-15)14(19)17-11-13-6-4-10-18(13)2/h4,6,10,16H,3,5,7-9,11-12H2,1-2H3,(H,17,19)
InChIKeyHMGMYUSNPOXQRU-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-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63302616
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide (CID 106416484) is N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2cccn2C)CCCNC1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is HMGMYUSNPOXQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-7-15(8-5-9-16-12-15)14(19)17-11-13-6-4-10-18(13)2/h4,6,10,16H,3,5,7-9,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
N-[(1-methylpyrrol-2-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-2-yl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 106416484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).