(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C18H26ClN3O2 — CID 120641099

IUPAC(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCCn1ccc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cc21.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-11-15(5-7-19-13)18(22)20-16-4-3-14-6-8-21(9-10-23-2)17(14)12-16;/h3-4,6,8,12-13,15,19H,5,7,9-11H2,1-2H3,(H,20,22);1H/t13-,15-;/m0./s1
InChIKeyUADRITDASBNZFP-SLHAJLBXSA-N
MW351.88 g/mol
LogP3.04
Rot. Bonds5

About (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120641099) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120641099
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCCn1ccc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cc21.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-11-15(5-7-19-13)18(22)20-16-4-3-14-6-8-21(9-10-23-2)17(14)12-16;/h3-4,6,8,12-13,15,19H,5,7,9-11H2,1-2H3,(H,20,22);1H/t13-,15-;/m0./s1
InChIKeyUADRITDASBNZFP-SLHAJLBXSA-N
XLogP3.04
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640767
(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634846
(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide
CID 124850780
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120641196
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120641099) is (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is COCCn1ccc2ccc(NC(=O)[C@H]3CCN[C@@H](C)C3)cc21.Cl.
What is the InChIKey of (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UADRITDASBNZFP-SLHAJLBXSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-13-11-15(5-7-19-13)18(22)20-16-4-3-14-6-8-21(9-10-23-2)17(14)12-16;/h3-4,6,8,12-13,15,19H,5,7,9-11H2,1-2H3,(H,20,22);1H/t13-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120641099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).