4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide

C29H30FN3O4 — CID 171684282

IUPAC4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
SMILESCOc1ncc(C(=O)N2CCC(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)CC2)cc1F
InChIInChI=1S/C29H30FN3O4/c1-36-28-26(30)16-23(17-31-28)29(35)33-14-12-21(13-15-33)20-4-8-24(9-5-20)32-27(34)22-6-10-25(11-7-22)37-18-19-2-3-19/h4-11,16-17,19,21H,2-3,12-15,18H2,1H3,(H,32,34)
InChIKeyNATJZXPPGPJSAC-UHFFFAOYSA-N
MW503.57 g/mol
LogP5.29
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide

4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide (PubChem CID 171684282) has the molecular formula C29H30FN3O4 and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
PubChem CID171684282
Molecular FormulaC29H30FN3O4
Molecular Weight503.57 g/mol
Exact Mass503.22
IUPAC Name4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
SMILESCOc1ncc(C(=O)N2CCC(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)CC2)cc1F
InChIInChI=1S/C29H30FN3O4/c1-36-28-26(30)16-23(17-31-28)29(35)33-14-12-21(13-15-33)20-4-8-24(9-5-20)32-27(34)22-6-10-25(11-7-22)37-18-19-2-3-19/h4-11,16-17,19,21H,2-3,12-15,18H2,1H3,(H,32,34)
InChIKeyNATJZXPPGPJSAC-UHFFFAOYSA-N
XLogP5.29
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[4-(cyclopropylmethoxy)benzoyl]piperidin-4-yl]phenyl]-3-methylsulfonylbenzamide
CID 171685436
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 171685696
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171681569
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]quinoline-6-carboxamide
CID 171678356

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide (CID 171684282) is 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide is COc1ncc(C(=O)N2CCC(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4)cc3)CC2)cc1F.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide?
The InChIKey is NATJZXPPGPJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O4/c1-36-28-26(30)16-23(17-31-28)29(35)33-14-12-21(13-15-33)20-4-8-24(9-5-20)32-27(34)22-6-10-25(11-7-22)37-18-19-2-3-19/h4-11,16-17,19,21H,2-3,12-15,18H2,1H3,(H,32,34).
What are the key properties of 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide?
4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide has a molecular weight of 503.57 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 171684282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).