4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide

C18H21N3O — CID 51096006

IUPAC4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H21N3O/c22-18(21-12-10-20(11-13-21)15-8-9-15)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15H,8-13H2,(H,19,22)
InChIKeyIEHMVVWQQXXDIW-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.15
Rot. Bonds2

About 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide

4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 51096006) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID51096006
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H21N3O/c22-18(21-12-10-20(11-13-21)15-8-9-15)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15H,8-13H2,(H,19,22)
InChIKeyIEHMVVWQQXXDIW-UHFFFAOYSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 24616441
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 51096006) is 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is IEHMVVWQQXXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(21-12-10-20(11-13-21)15-8-9-15)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15H,8-13H2,(H,19,22).
What are the key properties of 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51096006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).