N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide

C25H31N5O4 — CID 42848245

IUPACN-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
SMILESCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C25H31N5O4/c1-2-27-15-17-29(18-16-27)25(32)22-5-3-4-6-23(22)28-13-11-20(12-14-28)26-24(31)19-7-9-21(10-8-19)30(33)34/h3-10,20H,2,11-18H2,1H3,(H,26,31)
InChIKeySLADVOWHCGFJEO-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.77
Rot. Bonds6

About N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide

N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide (PubChem CID 42848245) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
PubChem CID42848245
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC NameN-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
SMILESCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C25H31N5O4/c1-2-27-15-17-29(18-16-27)25(32)22-5-3-4-6-23(22)28-13-11-20(12-14-28)26-24(31)19-7-9-21(10-8-19)30(33)34/h3-10,20H,2,11-18H2,1H3,(H,26,31)
InChIKeySLADVOWHCGFJEO-UHFFFAOYSA-N
XLogP2.77
TPSA99.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide
CID 46037850
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
N-(1-ethylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30768197
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 42848378

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide?
The IUPAC name of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide (CID 42848245) is N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide?
The canonical SMILES for N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide is CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1.
What is the InChIKey of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide?
The InChIKey is SLADVOWHCGFJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-2-27-15-17-29(18-16-27)25(32)22-5-3-4-6-23(22)28-13-11-20(12-14-28)26-24(31)19-7-9-21(10-8-19)30(33)34/h3-10,20H,2,11-18H2,1H3,(H,26,31).
What are the key properties of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide?
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide has a molecular weight of 465.55 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide is sourced from PubChem (CID 42848245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).