1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide

C16H23N3O — CID 79984072

IUPAC1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1Cc1cccc(C2CC2)c1
InChIInChI=1S/C16H23N3O/c1-17-16(20)15-10-18-7-8-19(15)11-12-3-2-4-14(9-12)13-5-6-13/h2-4,9,13,15,18H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyRZCFHRWVOMGNIX-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.08
Rot. Bonds4

About 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide

1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide (PubChem CID 79984072) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide
PubChem CID79984072
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1Cc1cccc(C2CC2)c1
InChIInChI=1S/C16H23N3O/c1-17-16(20)15-10-18-7-8-19(15)11-12-3-2-4-14(9-12)13-5-6-13/h2-4,9,13,15,18H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyRZCFHRWVOMGNIX-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
1-[(3-cyano-2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 107118999
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
1-(isoquinolin-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104504388
N-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2-carboxamide
CID 82907635
4-[(3-cyclopropylphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3-carboxylic acid
CID 166267168
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104769023
methyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 66877095
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
CID 79970782

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide (CID 79984072) is 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1Cc1cccc(C2CC2)c1.
What is the InChIKey of 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is RZCFHRWVOMGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-16(20)15-10-18-7-8-19(15)11-12-3-2-4-14(9-12)13-5-6-13/h2-4,9,13,15,18H,5-8,10-11H2,1H3,(H,17,20).
What are the key properties of 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide?
1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 79984072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).