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

C20H27N3O2 — CID 51329077

IUPACN-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H27N3O2/c1-15(18(24)21-17-7-8-17)22-11-13-23(14-12-22)19(25)20(9-10-20)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,21,24)
InChIKeyRYJVELXTRWWYII-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.53
Rot. Bonds5

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

N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide (PubChem CID 51329077) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide
PubChem CID51329077
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H27N3O2/c1-15(18(24)21-17-7-8-17)22-11-13-23(14-12-22)19(25)20(9-10-20)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,21,24)
InChIKeyRYJVELXTRWWYII-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47020973
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 71879972
N-cyclopropyl-2-[4-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)piperazin-1-yl]propanamide
CID 55490095
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide (CID 51329077) is N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide?
The InChIKey is RYJVELXTRWWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(18(24)21-17-7-8-17)22-11-13-23(14-12-22)19(25)20(9-10-20)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51329077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).