N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide

C27H31FN4O2 — CID 42276956

IUPACN-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(N2CCC(NCCCOc3cccnc3)CC2)cc1
InChIInChI=1S/C27H31FN4O2/c28-26-7-2-1-5-22(26)19-31-27(33)21-8-10-24(11-9-21)32-16-12-23(13-17-32)30-15-4-18-34-25-6-3-14-29-20-25/h1-3,5-11,14,20,23,30H,4,12-13,15-19H2,(H,31,33)
InChIKeyQMEJRWJUQNNJCC-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.18
Rot. Bonds10

About N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide

N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide (PubChem CID 42276956) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide
PubChem CID42276956
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(N2CCC(NCCCOc3cccnc3)CC2)cc1
InChIInChI=1S/C27H31FN4O2/c28-26-7-2-1-5-22(26)19-31-27(33)21-8-10-24(11-9-21)32-16-12-23(13-17-32)30-15-4-18-34-25-6-3-14-29-20-25/h1-3,5-11,14,20,23,30H,4,12-13,15-19H2,(H,31,33)
InChIKeyQMEJRWJUQNNJCC-UHFFFAOYSA-N
XLogP4.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-
CID 656950
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
4-fluoro-3-[2-(3-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396289
tert-butyl N-(4-{2-[2-fluoro-5-({[1-(pyridin-4-yl)piperidin-4-yl]methyl}carbamoyl)phenoxy]ethyl}phenyl)carbamate
CID 23396328
4-(6-(18F)fluoro-3-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105555
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide (CID 42276956) is N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide is O=C(NCc1ccccc1F)c1ccc(N2CCC(NCCCOc3cccnc3)CC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide?
The InChIKey is QMEJRWJUQNNJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c28-26-7-2-1-5-22(26)19-31-27(33)21-8-10-24(11-9-21)32-16-12-23(13-17-32)30-15-4-18-34-25-6-3-14-29-20-25/h1-3,5-11,14,20,23,30H,4,12-13,15-19H2,(H,31,33).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide?
N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[4-(3-pyridin-3-yloxypropylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42276956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).