N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide

C21H23N3O — CID 19609091

IUPACN-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide
SMILESO=C(NCC1CCNCC1)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H23N3O/c25-21(23-15-16-11-13-22-14-12-16)24-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)24/h1-10,16,22H,11-15H2,(H,23,25)
InChIKeyUQNDMSUIPXJGLI-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.02
Rot. Bonds2

About N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide

N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide (PubChem CID 19609091) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide
PubChem CID19609091
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide
SMILESO=C(NCC1CCNCC1)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H23N3O/c25-21(23-15-16-11-13-22-14-12-16)24-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)24/h1-10,16,22H,11-15H2,(H,23,25)
InChIKeyUQNDMSUIPXJGLI-UHFFFAOYSA-N
XLogP4.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2,2-diphenyl-N-(piperidin-4-ylmethyl)acetamide
CID 10403987
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
CID 166237814
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 170439643

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide (CID 19609091) is N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide is O=C(NCC1CCNCC1)N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is UQNDMSUIPXJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(23-15-16-11-13-22-14-12-16)24-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)24/h1-10,16,22H,11-15H2,(H,23,25).
What are the key properties of N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide?
N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 19609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).