N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate

C17H19N4O3- — CID 19032426

IUPACN-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)[O-])cc3)CC2)nc1
InChIInChI=1S/C17H20N4O3/c1-24-15-6-7-16(18-12-15)21-10-8-20(9-11-21)14-4-2-13(3-5-14)19-17(22)23/h2-7,12,19H,8-11H2,1H3,(H,22,23)/p-1
InChIKeyFEEAFDPETJAATO-UHFFFAOYSA-M
MW327.36 g/mol
LogP1.17
Rot. Bonds4

About N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate

N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate (PubChem CID 19032426) has the molecular formula C17H19N4O3- and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
PubChem CID19032426
Molecular FormulaC17H19N4O3-
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)[O-])cc3)CC2)nc1
InChIInChI=1S/C17H20N4O3/c1-24-15-6-7-16(18-12-15)21-10-8-20(9-11-21)14-4-2-13(3-5-14)19-17(22)23/h2-7,12,19H,8-11H2,1H3,(H,22,23)/p-1
InChIKeyFEEAFDPETJAATO-UHFFFAOYSA-M
XLogP1.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
CID 142608157
5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 142608158
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
CID 147102634
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46444817
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate?
The IUPAC name of N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate (CID 19032426) is N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate is COc1ccc(N2CCN(c3ccc(NC(=O)[O-])cc3)CC2)nc1.
What is the InChIKey of N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate?
The InChIKey is FEEAFDPETJAATO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20N4O3/c1-24-15-6-7-16(18-12-15)21-10-8-20(9-11-21)14-4-2-13(3-5-14)19-17(22)23/h2-7,12,19H,8-11H2,1H3,(H,22,23)/p-1.
What are the key properties of N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate?
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 327.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 19032426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).