N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H30ClN3O — CID 119781349

IUPACN-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1cccc2c(CCNC(=O)CC(C)C3CCNCC3)c[nH]c12.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-14-4-3-5-18-17(13-23-20(14)18)8-11-22-19(24)12-15(2)16-6-9-21-10-7-16;/h3-5,13,15-16,21,23H,6-12H2,1-2H3,(H,22,24);1H
InChIKeyHKAWLTFLQFXQHL-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119781349) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119781349
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1cccc2c(CCNC(=O)CC(C)C3CCNCC3)c[nH]c12.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-14-4-3-5-18-17(13-23-20(14)18)8-11-22-19(24)12-15(2)16-6-9-21-10-7-16;/h3-5,13,15-16,21,23H,6-12H2,1-2H3,(H,22,24);1H
InChIKeyHKAWLTFLQFXQHL-UHFFFAOYSA-N
XLogP3.58
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119774521
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119781349) is N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is Cc1cccc2c(CCNC(=O)CC(C)C3CCNCC3)c[nH]c12.Cl.
What is the InChIKey of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is HKAWLTFLQFXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.ClH/c1-14-4-3-5-18-17(13-23-20(14)18)8-11-22-19(24)12-15(2)16-6-9-21-10-7-16;/h3-5,13,15-16,21,23H,6-12H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119781349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).