(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide

C16H18ClN3O3 — CID 129485947

IUPAC(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1
InChIInChI=1S/C16H18ClN3O3/c17-12-3-2-11-4-7-19(13(11)8-12)9-14(21)20-6-1-5-16(23,10-20)15(18)22/h2-4,7-8,23H,1,5-6,9-10H2,(H2,18,22)/t16-/m0/s1
InChIKeyOPBFRISXKWLXED-INIZCTEOSA-N
MW335.79 g/mol
LogP1.13
Rot. Bonds3

About (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129485947) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129485947
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1
InChIInChI=1S/C16H18ClN3O3/c17-12-3-2-11-4-7-19(13(11)8-12)9-14(21)20-6-1-5-16(23,10-20)15(18)22/h2-4,7-8,23H,1,5-6,9-10H2,(H2,18,22)/t16-/m0/s1
InChIKeyOPBFRISXKWLXED-INIZCTEOSA-N
XLogP1.13
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337
(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate
CID 166284057
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide (CID 129485947) is (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1.
What is the InChIKey of (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is OPBFRISXKWLXED-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-3-2-11-4-7-19(13(11)8-12)9-14(21)20-6-1-5-16(23,10-20)15(18)22/h2-4,7-8,23H,1,5-6,9-10H2,(H2,18,22)/t16-/m0/s1.
What are the key properties of (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129485947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).