N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide

C14H18N4O — CID 121452523

IUPACN-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccc3[nH]ccc23)CCN1
InChIInChI=1S/C14H18N4O/c1-10-9-18(8-7-15-10)14(19)17-13-4-2-3-12-11(13)5-6-16-12/h2-6,10,15-16H,7-9H2,1H3,(H,17,19)
InChIKeyNKVWYAFSQAZWAN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds1

About N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide

N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide (PubChem CID 121452523) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
PubChem CID121452523
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccc3[nH]ccc23)CCN1
InChIInChI=1S/C14H18N4O/c1-10-9-18(8-7-15-10)14(19)17-13-4-2-3-12-11(13)5-6-16-12/h2-6,10,15-16H,7-9H2,1H3,(H,17,19)
InChIKeyNKVWYAFSQAZWAN-UHFFFAOYSA-N
XLogP1.99
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102272
(3R)-N-(2-iodophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 165429772
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504
(3S)-4-(2-ethoxyethyl)-3-ethyl-N-(1H-indol-4-yl)piperazine-1-carboxamide
CID 99581304
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide
CID 45495018
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 56825846
N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
CID 7615909

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide?
The IUPAC name of N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide (CID 121452523) is N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2cccc3[nH]ccc23)CCN1.
What is the InChIKey of N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide?
The InChIKey is NKVWYAFSQAZWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-18(8-7-15-10)14(19)17-13-4-2-3-12-11(13)5-6-16-12/h2-6,10,15-16H,7-9H2,1H3,(H,17,19).
What are the key properties of N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide?
N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 121452523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).