3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide

C29H33N3O — CID 22458815

IUPAC3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCN3CCC(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C29H33N3O/c1-2-32-27-11-7-6-10-25(27)26-21-24(12-13-28(26)32)30-29(33)16-19-31-17-14-23(15-18-31)20-22-8-4-3-5-9-22/h3-13,21,23H,2,14-20H2,1H3,(H,30,33)
InChIKeyNLFJCNOETJHOIN-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.10
Rot. Bonds7

About 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide

3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 22458815) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID22458815
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCN3CCC(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C29H33N3O/c1-2-32-27-11-7-6-10-25(27)26-21-24(12-13-28(26)32)30-29(33)16-19-31-17-14-23(15-18-31)20-22-8-4-3-5-9-22/h3-13,21,23H,2,14-20H2,1H3,(H,30,33)
InChIKeyNLFJCNOETJHOIN-UHFFFAOYSA-N
XLogP6.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)piperidin-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458844
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
N-(9-ethylcarbazol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 22458846
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
CID 24985386
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide (CID 22458815) is 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCN3CCC(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is NLFJCNOETJHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-2-32-27-11-7-6-10-25(27)26-21-24(12-13-28(26)32)30-29(33)16-19-31-17-14-23(15-18-31)20-22-8-4-3-5-9-22/h3-13,21,23H,2,14-20H2,1H3,(H,30,33).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 439.60 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 22458815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).