N-piperidin-3-yl-4-pyrrol-1-ylbenzamide

C16H19N3O — CID 127187403

IUPACN-piperidin-3-yl-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H19N3O/c20-16(18-14-4-3-9-17-12-14)13-5-7-15(8-6-13)19-10-1-2-11-19/h1-2,5-8,10-11,14,17H,3-4,9,12H2,(H,18,20)
InChIKeyXMPOJHJYTYBGQA-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About N-piperidin-3-yl-4-pyrrol-1-ylbenzamide

N-piperidin-3-yl-4-pyrrol-1-ylbenzamide (PubChem CID 127187403) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-piperidin-3-yl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-piperidin-3-yl-4-pyrrol-1-ylbenzamide
PubChem CID127187403
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-piperidin-3-yl-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H19N3O/c20-16(18-14-4-3-9-17-12-14)13-5-7-15(8-6-13)19-10-1-2-11-19/h1-2,5-8,10-11,14,17H,3-4,9,12H2,(H,18,20)
InChIKeyXMPOJHJYTYBGQA-UHFFFAOYSA-N
XLogP1.96
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
N-piperidin-3-ylbenzamide
CID 22017045
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-piperidin-3-yl-4-pyrrol-1-ylbenzamide (CID 127187403) is N-piperidin-3-yl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-piperidin-3-yl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-piperidin-3-yl-4-pyrrol-1-ylbenzamide is O=C(NC1CCCNC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-piperidin-3-yl-4-pyrrol-1-ylbenzamide?
The InChIKey is XMPOJHJYTYBGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-14-4-3-9-17-12-14)13-5-7-15(8-6-13)19-10-1-2-11-19/h1-2,5-8,10-11,14,17H,3-4,9,12H2,(H,18,20).
What are the key properties of N-piperidin-3-yl-4-pyrrol-1-ylbenzamide?
N-piperidin-3-yl-4-pyrrol-1-ylbenzamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 127187403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).