N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide

C25H25N5O2 — CID 172659342

IUPACN-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@]1(c2ccccc2)CCN(Cc2cnc[nH]2)C[C@H]1O)c1ccnc2ccccc12
InChIInChI=1S/C25H25N5O2/c31-23-16-30(15-19-14-26-17-28-19)13-11-25(23,18-6-2-1-3-7-18)29-24(32)21-10-12-27-22-9-5-4-8-20(21)22/h1-10,12,14,17,23,31H,11,13,15-16H2,(H,26,28)(H,29,32)/t23-,25-/m1/s1
InChIKeyNDIRDVSKHLUQMV-ILBGXUMGSA-N
MW427.51 g/mol
LogP2.85
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide

N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide (PubChem CID 172659342) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide
PubChem CID172659342
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@]1(c2ccccc2)CCN(Cc2cnc[nH]2)C[C@H]1O)c1ccnc2ccccc12
InChIInChI=1S/C25H25N5O2/c31-23-16-30(15-19-14-26-17-28-19)13-11-25(23,18-6-2-1-3-7-18)29-24(32)21-10-12-27-22-9-5-4-8-20(21)22/h1-10,12,14,17,23,31H,11,13,15-16H2,(H,26,28)(H,29,32)/t23-,25-/m1/s1
InChIKeyNDIRDVSKHLUQMV-ILBGXUMGSA-N
XLogP2.85
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide (CID 172659342) is N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide is O=C(N[C@@]1(c2ccccc2)CCN(Cc2cnc[nH]2)C[C@H]1O)c1ccnc2ccccc12.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide?
The InChIKey is NDIRDVSKHLUQMV-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-23-16-30(15-19-14-26-17-28-19)13-11-25(23,18-6-2-1-3-7-18)29-24(32)21-10-12-27-22-9-5-4-8-20(21)22/h1-10,12,14,17,23,31H,11,13,15-16H2,(H,26,28)(H,29,32)/t23-,25-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(1H-imidazol-5-ylmethyl)-4-phenylpiperidin-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 172659342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).