4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide

C16H25N3O2 — CID 119823974

IUPAC4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(C(C)=O)cn1C)C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-4-9-19(14-5-7-17-8-6-14)16(21)15-10-13(12(2)20)11-18(15)3/h10-11,14,17H,4-9H2,1-3H3
InChIKeyGNGSFYUOGHAEPQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.83
Rot. Bonds5

About 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide

4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide (PubChem CID 119823974) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
PubChem CID119823974
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(C(C)=O)cn1C)C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-4-9-19(14-5-7-17-8-6-14)16(21)15-10-13(12(2)20)11-18(15)3/h10-11,14,17H,4-9H2,1-3H3
InChIKeyGNGSFYUOGHAEPQ-UHFFFAOYSA-N
XLogP1.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 60805753
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162
4-acetyl-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823292
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide (CID 119823974) is 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide is CCCN(C(=O)c1cc(C(C)=O)cn1C)C1CCNCC1.
What is the InChIKey of 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
The InChIKey is GNGSFYUOGHAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-19(14-5-7-17-8-6-14)16(21)15-10-13(12(2)20)11-18(15)3/h10-11,14,17H,4-9H2,1-3H3.
What are the key properties of 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 119823974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).