(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride

C19H28ClN3O — CID 120634293

IUPAC(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)Cn1ccc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc21.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-13(2)12-22-9-7-15-11-17(4-5-18(15)22)21-19(23)16-6-8-20-14(3)10-16;/h4-5,7,9,11,13-14,16,20H,6,8,10,12H2,1-3H3,(H,21,23);1H/t14-,16-;/m0./s1
InChIKeyCJWYSGQZNDTCOC-DMLYUBSXSA-N
MW349.91 g/mol
LogP4.05
Rot. Bonds4

About (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120634293) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID120634293
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)Cn1ccc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc21.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-13(2)12-22-9-7-15-11-17(4-5-18(15)22)21-19(23)16-6-8-20-14(3)10-16;/h4-5,7,9,11,13-14,16,20H,6,8,10,12H2,1-3H3,(H,21,23);1H/t14-,16-;/m0./s1
InChIKeyCJWYSGQZNDTCOC-DMLYUBSXSA-N
XLogP4.05
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634846
(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 120940198
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640767
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride (CID 120634293) is (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride is CC(C)Cn1ccc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc21.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CJWYSGQZNDTCOC-DMLYUBSXSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c1-13(2)12-22-9-7-15-11-17(4-5-18(15)22)21-19(23)16-6-8-20-14(3)10-16;/h4-5,7,9,11,13-14,16,20H,6,8,10,12H2,1-3H3,(H,21,23);1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).