N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide

C21H25N3O2 — CID 42929785

IUPACN-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H25N3O2/c1-15(20(25)22-19-8-9-19)23-10-12-24(13-11-23)21(26)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,19H,8-13H2,1H3,(H,22,25)
InChIKeyIFHOWKFOGHQLOU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.26
Rot. Bonds4

About N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 42929785) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID42929785
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H25N3O2/c1-15(20(25)22-19-8-9-19)23-10-12-24(13-11-23)21(26)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,19H,8-13H2,1H3,(H,22,25)
InChIKeyIFHOWKFOGHQLOU-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
CID 55574544
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
N-cyclopropyl-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperazin-1-yl]propanamide
CID 55490182
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
CID 46448196
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
N-cyclopropyl-2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanamide
CID 86916677
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide (CID 42929785) is N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is IFHOWKFOGHQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(20(25)22-19-8-9-19)23-10-12-24(13-11-23)21(26)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,19H,8-13H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 42929785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).