N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C25H32ClN3O — CID 119680300

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)C1CCCNC1.Cl
InChIInChI=1S/C25H31N3O.ClH/c1-18(20-10-7-13-26-15-20)14-25(29)28-16-22(19-8-3-2-4-9-19)23-17-27-24-12-6-5-11-21(23)24;/h2-6,8-9,11-12,17-18,20,22,26-27H,7,10,13-16H2,1H3,(H,28,29);1H
InChIKeyFWDRHTVSFKQNJY-UHFFFAOYSA-N
MW426.00 g/mol
LogP4.86
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119680300) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119680300
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)C1CCCNC1.Cl
InChIInChI=1S/C25H31N3O.ClH/c1-18(20-10-7-13-26-15-20)14-25(29)28-16-22(19-8-3-2-4-9-19)23-17-27-24-12-6-5-11-21(23)24;/h2-6,8-9,11-12,17-18,20,22,26-27H,7,10,13-16H2,1H3,(H,28,29);1H
InChIKeyFWDRHTVSFKQNJY-UHFFFAOYSA-N
XLogP4.86
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918683
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119774521
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
CID 119769268
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119680300) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is FWDRHTVSFKQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.ClH/c1-18(20-10-7-13-26-15-20)14-25(29)28-16-22(19-8-3-2-4-9-19)23-17-27-24-12-6-5-11-21(23)24;/h2-6,8-9,11-12,17-18,20,22,26-27H,7,10,13-16H2,1H3,(H,28,29);1H.
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 426.00 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119680300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).