N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

C18H25N5O4 — CID 27172798

IUPACN-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H25N5O4/c24-17(20-18(25)19-14-3-1-2-4-14)13-21-9-11-22(12-10-21)15-5-7-16(8-6-15)23(26)27/h5-8,14H,1-4,9-13H2,(H2,19,20,24,25)
InChIKeyOKVDCROAMCKLNG-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.49
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 27172798) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID27172798
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC NameN-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H25N5O4/c24-17(20-18(25)19-14-3-1-2-4-14)13-21-9-11-22(12-10-21)15-5-7-16(8-6-15)23(26)27/h5-8,14H,1-4,9-13H2,(H2,19,20,24,25)
InChIKeyOKVDCROAMCKLNG-UHFFFAOYSA-N
XLogP1.49
TPSA107.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.49
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

N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930160
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930158
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide
CID 7777019
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
CID 9033186
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (CID 27172798) is N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is OKVDCROAMCKLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c24-17(20-18(25)19-14-3-1-2-4-14)13-21-9-11-22(12-10-21)15-5-7-16(8-6-15)23(26)27/h5-8,14H,1-4,9-13H2,(H2,19,20,24,25).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27172798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).