(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C21H33ClN4O — CID 120634846

IUPAC(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCn1ccc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc21.Cl
InChIInChI=1S/C21H32N4O.ClH/c1-4-24(5-2)12-13-25-11-9-17-15-19(6-7-20(17)25)23-21(26)18-8-10-22-16(3)14-18;/h6-7,9,11,15-16,18,22H,4-5,8,10,12-14H2,1-3H3,(H,23,26);1H/t16-,18-;/m0./s1
InChIKeyMSQWWPNLGIEUFE-AKXYIILFSA-N
MW392.98 g/mol
LogP3.73
Rot. Bonds7

About (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120634846) has the molecular formula C21H33ClN4O and a molecular weight of 392.98 g/mol. Its IUPAC name is (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120634846
Molecular FormulaC21H33ClN4O
Molecular Weight392.98 g/mol
Exact Mass392.23
IUPAC Name(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCn1ccc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc21.Cl
InChIInChI=1S/C21H32N4O.ClH/c1-4-24(5-2)12-13-25-11-9-17-15-19(6-7-20(17)25)23-21(26)18-8-10-22-16(3)14-18;/h6-7,9,11,15-16,18,22H,4-5,8,10,12-14H2,1-3H3,(H,23,26);1H/t16-,18-;/m0./s1
InChIKeyMSQWWPNLGIEUFE-AKXYIILFSA-N
XLogP3.73
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.98
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
(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-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
CID 120645414
(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640767
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634765
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 60606989
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120634846) is (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(CC)CCn1ccc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc21.Cl.
What is the InChIKey of (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MSQWWPNLGIEUFE-AKXYIILFSA-N. The full InChI is InChI=1S/C21H32N4O.ClH/c1-4-24(5-2)12-13-25-11-9-17-15-19(6-7-20(17)25)23-21(26)18-8-10-22-16(3)14-18;/h6-7,9,11,15-16,18,22H,4-5,8,10,12-14H2,1-3H3,(H,23,26);1H/t16-,18-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 392.98 g/mol, XLogP of 3.73, 7 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-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).