N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide

C17H21FN4O2 — CID 95134781

IUPACN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)N1CCC(O)CC1)c1cccc(F)c1
InChIInChI=1S/C17H21FN4O2/c1-21-10-7-19-16(21)15(12-3-2-4-13(18)11-12)20-17(24)22-8-5-14(23)6-9-22/h2-4,7,10-11,14-15,23H,5-6,8-9H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyHOWPORVBLTYUSL-OAHLLOKOSA-N
MW332.38 g/mol
LogP1.81
Rot. Bonds3

About N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 95134781) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID95134781
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)N1CCC(O)CC1)c1cccc(F)c1
InChIInChI=1S/C17H21FN4O2/c1-21-10-7-19-16(21)15(12-3-2-4-13(18)11-12)20-17(24)22-8-5-14(23)6-9-22/h2-4,7,10-11,14-15,23H,5-6,8-9H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyHOWPORVBLTYUSL-OAHLLOKOSA-N
XLogP1.81
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
4-(cyclohexylmethyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 55913040
(2R)-2-ethyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97097725
(1R)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 31503500
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119837332
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
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N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46647829
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 95134781) is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide is Cn1ccnc1[C@H](NC(=O)N1CCC(O)CC1)c1cccc(F)c1.
What is the InChIKey of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is HOWPORVBLTYUSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21-10-7-19-16(21)15(12-3-2-4-13(18)11-12)20-17(24)22-8-5-14(23)6-9-22/h2-4,7,10-11,14-15,23H,5-6,8-9H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 95134781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).