1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride

C21H32ClN3O — CID 3030428

IUPAC1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)N(C(=O)C1CCCN(Cc2c[nH]c3ccccc23)C1)C(C)C.Cl
InChIInChI=1S/C21H31N3O.ClH/c1-15(2)24(16(3)4)21(25)17-8-7-11-23(13-17)14-18-12-22-20-10-6-5-9-19(18)20;/h5-6,9-10,12,15-17,22H,7-8,11,13-14H2,1-4H3;1H
InChIKeyCNOSMVHUDDKZFF-UHFFFAOYSA-N
MW377.96 g/mol
LogP4.45
Rot. Bonds5

About 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride

1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 3030428) has the molecular formula C21H32ClN3O and a molecular weight of 377.96 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID3030428
Molecular FormulaC21H32ClN3O
Molecular Weight377.96 g/mol
Exact Mass377.22
IUPAC Name1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)N(C(=O)C1CCCN(Cc2c[nH]c3ccccc23)C1)C(C)C.Cl
InChIInChI=1S/C21H31N3O.ClH/c1-15(2)24(16(3)4)21(25)17-8-7-11-23(13-17)14-18-12-22-20-10-6-5-9-19(18)20;/h5-6,9-10,12,15-17,22H,7-8,11,13-14H2,1-4H3;1H
InChIKeyCNOSMVHUDDKZFF-UHFFFAOYSA-N
XLogP4.45
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidine-4-carbonyl]amino]propanoate;hydrochloride
CID 24832876
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98579746
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
1-[4-(1H-indol-3-ylmethyl)morpholin-2-yl]ethanamine
CID 115314840
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride (CID 3030428) is 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride is CC(C)N(C(=O)C1CCCN(Cc2c[nH]c3ccccc23)C1)C(C)C.Cl.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is CNOSMVHUDDKZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O.ClH/c1-15(2)24(16(3)4)21(25)17-8-7-11-23(13-17)14-18-12-22-20-10-6-5-9-19(18)20;/h5-6,9-10,12,15-17,22H,7-8,11,13-14H2,1-4H3;1H.
What are the key properties of 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride?
1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 3030428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).