3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide

C18H25N3O2 — CID 111474969

IUPAC3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)N3CCCC(CO)C3)cc21
InChIInChI=1S/C18H25N3O2/c1-2-8-20-10-7-15-5-6-16(11-17(15)20)19-18(23)21-9-3-4-14(12-21)13-22/h5-7,10-11,14,22H,2-4,8-9,12-13H2,1H3,(H,19,23)
InChIKeyIIUHROUUZVPCGM-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.29
Rot. Bonds4

About 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide (PubChem CID 111474969) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
PubChem CID111474969
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)N3CCCC(CO)C3)cc21
InChIInChI=1S/C18H25N3O2/c1-2-8-20-10-7-15-5-6-16(11-17(15)20)19-18(23)21-9-3-4-14(12-21)13-22/h5-7,10-11,14,22H,2-4,8-9,12-13H2,1H3,(H,19,23)
InChIKeyIIUHROUUZVPCGM-UHFFFAOYSA-N
XLogP3.29
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
(3S)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 97253653
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
CID 99715807
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
2-(furan-2-yl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 126786711
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
(3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95771355
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide (CID 111474969) is 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide is CCCn1ccc2ccc(NC(=O)N3CCCC(CO)C3)cc21.
What is the InChIKey of 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide?
The InChIKey is IIUHROUUZVPCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-8-20-10-7-15-5-6-16(11-17(15)20)19-18(23)21-9-3-4-14(12-21)13-22/h5-7,10-11,14,22H,2-4,8-9,12-13H2,1H3,(H,19,23).
What are the key properties of 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111474969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).