N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide

C17H23N5O4 — CID 55472130

IUPACN-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H23N5O4/c1-12(16(23)19-17(24)18-13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(7-5-14)22(25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H2,18,19,23,24)
InChIKeyRCOYOUDZHCRBSQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.09
Rot. Bonds5

About N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide

N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide (PubChem CID 55472130) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
PubChem CID55472130
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H23N5O4/c1-12(16(23)19-17(24)18-13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(7-5-14)22(25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H2,18,19,23,24)
InChIKeyRCOYOUDZHCRBSQ-UHFFFAOYSA-N
XLogP1.09
TPSA107.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide
CID 7777019
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
CID 40741789
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630643
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 26299527
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide (CID 55472130) is N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide is CC(C(=O)NC(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
The InChIKey is RCOYOUDZHCRBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-12(16(23)19-17(24)18-13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(7-5-14)22(25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H2,18,19,23,24).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide has a molecular weight of 361.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55472130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).