N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide

C23H29N3O4 — CID 42856599

IUPACN-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(N(C(=O)C(C)C)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1
InChIInChI=1S/C23H29N3O4/c1-17(2)23(27)25(21-5-4-6-22(15-21)30-3)19-11-13-24(14-12-19)16-18-7-9-20(10-8-18)26(28)29/h4-10,15,17,19H,11-14,16H2,1-3H3
InChIKeyQQRASCNPIMKBFG-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.26
Rot. Bonds7

About N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide

N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 42856599) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID42856599
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(N(C(=O)C(C)C)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1
InChIInChI=1S/C23H29N3O4/c1-17(2)23(27)25(21-5-4-6-22(15-21)30-3)19-11-13-24(14-12-19)16-18-7-9-20(10-8-18)26(28)29/h4-10,15,17,19H,11-14,16H2,1-3H3
InChIKeyQQRASCNPIMKBFG-UHFFFAOYSA-N
XLogP4.26
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-5-nitrophenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-2-methylpropanamide
CID 42858438
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 737879
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
2-methoxy-N-(4-methylphenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 46052006
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
N-(4-ethylphenyl)-2-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 46052039
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide (CID 42856599) is N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide is COc1cccc(N(C(=O)C(C)C)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is QQRASCNPIMKBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17(2)23(27)25(21-5-4-6-22(15-21)30-3)19-11-13-24(14-12-19)16-18-7-9-20(10-8-18)26(28)29/h4-10,15,17,19H,11-14,16H2,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide?
N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 411.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42856599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).