N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide

C25H25FN4O3 — CID 158253551

IUPACN-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C25H25FN4O3/c26-20-7-4-8-21(13-20)29-24(33)30-11-9-25(10-12-30,19-5-2-1-3-6-19)14-23-27-15-18(16-28-23)22(32)17-31/h1-8,13,15-16,31H,9-12,14,17H2,(H,29,33)
InChIKeyUWSQXAIJWOTEKK-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.60
Rot. Bonds6

About N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide

N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 158253551) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
PubChem CID158253551
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C25H25FN4O3/c26-20-7-4-8-21(13-20)29-24(33)30-11-9-25(10-12-30,19-5-2-1-3-6-19)14-23-27-15-18(16-28-23)22(32)17-31/h1-8,13,15-16,31H,9-12,14,17H2,(H,29,33)
InChIKeyUWSQXAIJWOTEKK-UHFFFAOYSA-N
XLogP3.60
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzylamino-2-{[4-(2-hydroxyethyl)phenyl]amino}pyrimidine-5-carboxamide
CID 44561384
4-Benzylamino-2-{[4-(4-hydroxypiperidin-1-yl)phenyl]amino}pyrimidine-5-carboxamide
CID 44561428
N-hydroxy-2-[[4-phenyl-1-(phenylcarbamoyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005717
2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 118005720
N-hydroxy-2-[[1-[methyl(phenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005744
2-[[1-[(2-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 118005764
2-[[1-[(4-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 118005766
2-[[1-[(2,6-difluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 118005922
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-[(6-phenyl-3-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 118439807
1-[(2-Anilinopyrimidin-5-yl)carbonyl]-4-(hydroxymethyl)piperidin-4-ol
CID 56740872
(3R*,4R*)-1-[(2-anilino-5-pyrimidinyl)carbonyl]-4-(hydroxymethyl)-3-piperidinol
CID 56896953
5-({3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-N-phenyl-2-pyrimidinamine
CID 56868456

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide (CID 158253551) is N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide is O=C(CO)c1cnc(CC2(c3ccccc3)CCN(C(=O)Nc3cccc(F)c3)CC2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is UWSQXAIJWOTEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-20-7-4-8-21(13-20)29-24(33)30-11-9-25(10-12-30,19-5-2-1-3-6-19)14-23-27-15-18(16-28-23)22(32)17-31/h1-8,13,15-16,31H,9-12,14,17H2,(H,29,33).
What are the key properties of N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide?
N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 158253551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).