4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

C17H22Cl2N4O2 — CID 25478294

IUPAC4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N4O2/c1-11(16(24)20-12-2-3-12)22-6-8-23(9-7-22)17(25)21-13-4-5-14(18)15(19)10-13/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,24)(H,21,25)/t11-/m1/s1
InChIKeyYUOGBUQNQQVXNA-LLVKDONJSA-N
MW385.30 g/mol
LogP2.81
Rot. Bonds4

About 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 25478294) has the molecular formula C17H22Cl2N4O2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID25478294
Molecular FormulaC17H22Cl2N4O2
Molecular Weight385.30 g/mol
Exact Mass384.11
IUPAC Name4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N4O2/c1-11(16(24)20-12-2-3-12)22-6-8-23(9-7-22)17(25)21-13-4-5-14(18)15(19)10-13/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,24)(H,21,25)/t11-/m1/s1
InChIKeyYUOGBUQNQQVXNA-LLVKDONJSA-N
XLogP2.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 97246729
N-(3-chloro-4-methylphenyl)-4-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 97099947
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 46662484
N-(3,4-dichlorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78842119
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6961768

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 25478294) is 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is YUOGBUQNQQVXNA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2/c1-11(16(24)20-12-2-3-12)22-6-8-23(9-7-22)17(25)21-13-4-5-14(18)15(19)10-13/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,24)(H,21,25)/t11-/m1/s1.
What are the key properties of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 385.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 25478294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).