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

C20H30ClN3O — CID 119774521

IUPACN-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cccc2[nH]cc(CCNC(=O)CC(C)C3CCCNC3)c12.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-14-5-3-7-18-20(14)17(13-23-18)8-10-22-19(24)11-15(2)16-6-4-9-21-12-16;/h3,5,7,13,15-16,21,23H,4,6,8-12H2,1-2H3,(H,22,24);1H
InChIKeyFCNJVPMGXLFPCD-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.58
Rot. Bonds6

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

N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119774521) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119774521
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cccc2[nH]cc(CCNC(=O)CC(C)C3CCCNC3)c12.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-14-5-3-7-18-20(14)17(13-23-18)8-10-22-19(24)11-15(2)16-6-4-9-21-12-16;/h3,5,7,13,15-16,21,23H,4,6,8-12H2,1-2H3,(H,22,24);1H
InChIKeyFCNJVPMGXLFPCD-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-3-ylbutanamide;hydrochloride
CID 119688188
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119680300
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119853418
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119774521) is N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1cccc2[nH]cc(CCNC(=O)CC(C)C3CCCNC3)c12.Cl.
What is the InChIKey of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is FCNJVPMGXLFPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.ClH/c1-14-5-3-7-18-20(14)17(13-23-18)8-10-22-19(24)11-15(2)16-6-4-9-21-12-16;/h3,5,7,13,15-16,21,23H,4,6,8-12H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-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-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119774521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).