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

C14H18N4O — CID 7615909

IUPACN-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)16-13-10-15-12-5-3-2-4-11(12)13/h2-5,10,15H,6-9H2,1H3,(H,16,19)
InChIKeyZDEDKTBYOLMHRW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds1

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

N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 7615909) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
PubChem CID7615909
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)16-13-10-15-12-5-3-2-4-11(12)13/h2-5,10,15H,6-9H2,1H3,(H,16,19)
InChIKeyZDEDKTBYOLMHRW-UHFFFAOYSA-N
XLogP1.95
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
CID 7615912
(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
CID 7615898
1H-indol-3-ylcarbamic acid
CID 66672709
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide (CID 7615909) is N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is ZDEDKTBYOLMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)16-13-10-15-12-5-3-2-4-11(12)13/h2-5,10,15H,6-9H2,1H3,(H,16,19).
What are the key properties of N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide?
N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 7615909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).