N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

C24H32N4O3 — CID 95803104

IUPACN-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESCOc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-30-23-4-2-21(3-5-23)27-12-8-22(9-13-27)28(15-14-26-16-18-31-19-17-26)24(29)20-6-10-25-11-7-20/h2-7,10-11,22H,8-9,12-19H2,1H3
InChIKeyKTFLWZZKDXJUDW-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.53
Rot. Bonds7

About N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 95803104) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID95803104
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESCOc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-30-23-4-2-21(3-5-23)27-12-8-22(9-13-27)28(15-14-26-16-18-31-19-17-26)24(29)20-6-10-25-11-7-20/h2-7,10-11,22H,8-9,12-19H2,1H3
InChIKeyKTFLWZZKDXJUDW-UHFFFAOYSA-N
XLogP2.53
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111243155
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
CID 90607272
1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
CID 90607257
N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23878610
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110036143
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (CID 95803104) is N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is COc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is KTFLWZZKDXJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-30-23-4-2-21(3-5-23)27-12-8-22(9-13-27)28(15-14-26-16-18-31-19-17-26)24(29)20-6-10-25-11-7-20/h2-7,10-11,22H,8-9,12-19H2,1H3.
What are the key properties of N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 95803104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).