(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C23H28ClN3O2 — CID 120640767

IUPAC(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CCN[C@@H](C)C4)cc32)c1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-16-12-19(8-10-24-16)23(27)25-20-7-6-18-9-11-26(22(18)14-20)15-17-4-3-5-21(13-17)28-2;/h3-7,9,11,13-14,16,19,24H,8,10,12,15H2,1-2H3,(H,25,27);1H/t16-,19-;/m0./s1
InChIKeyAQBBPTQAOYKSFG-QSVLQNJRSA-N
MW413.95 g/mol
LogP4.45
Rot. Bonds5

About (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120640767) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120640767
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CCN[C@@H](C)C4)cc32)c1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-16-12-19(8-10-24-16)23(27)25-20-7-6-18-9-11-26(22(18)14-20)15-17-4-3-5-21(13-17)28-2;/h3-7,9,11,13-14,16,19,24H,8,10,12,15H2,1-2H3,(H,25,27);1H/t16-,19-;/m0./s1
InChIKeyAQBBPTQAOYKSFG-QSVLQNJRSA-N
XLogP4.45
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
(2S,4S)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631353
(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634846
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617172
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635454
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120640767) is (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CCN[C@@H](C)C4)cc32)c1.Cl.
What is the InChIKey of (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is AQBBPTQAOYKSFG-QSVLQNJRSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c1-16-12-19(8-10-24-16)23(27)25-20-7-6-18-9-11-26(22(18)14-20)15-17-4-3-5-21(13-17)28-2;/h3-7,9,11,13-14,16,19,24H,8,10,12,15H2,1-2H3,(H,25,27);1H/t16-,19-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 4.45, 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-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).