1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide

C19H22ClN3O2 — CID 71887294

IUPAC1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H22ClN3O2/c20-15-2-1-13-5-10-23(17(13)11-15)12-18(24)22-8-6-14(7-9-22)19(25)21-16-3-4-16/h1-2,5,10-11,14,16H,3-4,6-9,12H2,(H,21,25)
InChIKeyYLKYTRSGCAOUQC-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide

1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 71887294) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID71887294
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H22ClN3O2/c20-15-2-1-13-5-10-23(17(13)11-15)12-18(24)22-8-6-14(7-9-22)19(25)21-16-3-4-16/h1-2,5,10-11,14,16H,3-4,6-9,12H2,(H,21,25)
InChIKeyYLKYTRSGCAOUQC-UHFFFAOYSA-N
XLogP2.81
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
methyl N-[4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]phenyl]sulfonylcarbamate;molecular hydrogen
CID 159692435
[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate
CID 47591460
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
2-(6-chloroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630662
(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide (CID 71887294) is 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is YLKYTRSGCAOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-2-1-13-5-10-23(17(13)11-15)12-18(24)22-8-6-14(7-9-22)19(25)21-16-3-4-16/h1-2,5,10-11,14,16H,3-4,6-9,12H2,(H,21,25).
What are the key properties of 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 71887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).