4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide

C17H25N3O2 — CID 113103421

IUPAC4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-22-16-6-2-14(3-7-16)8-9-18-17(21)20-12-10-19(11-13-20)15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,18,21)
InChIKeyQKCHBZMDISUWCX-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.73
Rot. Bonds5

About 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide

4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113103421) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113103421
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-22-16-6-2-14(3-7-16)8-9-18-17(21)20-12-10-19(11-13-20)15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,18,21)
InChIKeyQKCHBZMDISUWCX-UHFFFAOYSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110754765
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113103421) is 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is QKCHBZMDISUWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-16-6-2-14(3-7-16)8-9-18-17(21)20-12-10-19(11-13-20)15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,18,21).
What are the key properties of 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113103421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).