N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide

C18H24N4O — CID 97200911

IUPACN-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1cccc([C@@H]2CCCNC2)c1
InChIInChI=1S/C18H24N4O/c23-18(22-9-3-7-17-20-10-11-21-17)15-5-1-4-14(12-15)16-6-2-8-19-13-16/h1,4-5,10-12,16,19H,2-3,6-9,13H2,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyMWMPIJVQWSBPSO-MRXNPFEDSA-N
MW312.42 g/mol
LogP2.24
Rot. Bonds6

About N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide

N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide (PubChem CID 97200911) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
PubChem CID97200911
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1cccc([C@@H]2CCCNC2)c1
InChIInChI=1S/C18H24N4O/c23-18(22-9-3-7-17-20-10-11-21-17)15-5-1-4-14(12-15)16-6-2-8-19-13-16/h1,4-5,10-12,16,19H,2-3,6-9,13H2,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyMWMPIJVQWSBPSO-MRXNPFEDSA-N
XLogP2.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77091912
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171325623

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide (CID 97200911) is N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide is O=C(NCCCc1ncc[nH]1)c1cccc([C@@H]2CCCNC2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is MWMPIJVQWSBPSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(22-9-3-7-17-20-10-11-21-17)15-5-1-4-14(12-15)16-6-2-8-19-13-16/h1,4-5,10-12,16,19H,2-3,6-9,13H2,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide?
N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97200911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).