N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide

C21H24N4O3 — CID 171913319

IUPACN-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide
SMILESO=C(N[C@]1(c2ccccc2)CCN(CCc2ncc[nH]2)C[C@H]1O)c1ccco1
InChIInChI=1S/C21H24N4O3/c26-18-15-25(12-8-19-22-10-11-23-19)13-9-21(18,16-5-2-1-3-6-16)24-20(27)17-7-4-14-28-17/h1-7,10-11,14,18,26H,8-9,12-13,15H2,(H,22,23)(H,24,27)/t18-,21+/m1/s1
InChIKeyLPBPVXJLUHLVSC-NQIIRXRSSA-N
MW380.45 g/mol
LogP1.94
Rot. Bonds6

About N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide

N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide (PubChem CID 171913319) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide
PubChem CID171913319
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide
SMILESO=C(N[C@]1(c2ccccc2)CCN(CCc2ncc[nH]2)C[C@H]1O)c1ccco1
InChIInChI=1S/C21H24N4O3/c26-18-15-25(12-8-19-22-10-11-23-19)13-9-21(18,16-5-2-1-3-6-16)24-20(27)17-7-4-14-28-17/h1-7,10-11,14,18,26H,8-9,12-13,15H2,(H,22,23)(H,24,27)/t18-,21+/m1/s1
InChIKeyLPBPVXJLUHLVSC-NQIIRXRSSA-N
XLogP1.94
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide (CID 171913319) is N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide is O=C(N[C@]1(c2ccccc2)CCN(CCc2ncc[nH]2)C[C@H]1O)c1ccco1.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide?
The InChIKey is LPBPVXJLUHLVSC-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-18-15-25(12-8-19-22-10-11-23-19)13-9-21(18,16-5-2-1-3-6-16)24-20(27)17-7-4-14-28-17/h1-7,10-11,14,18,26H,8-9,12-13,15H2,(H,22,23)(H,24,27)/t18-,21+/m1/s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide?
N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-1-[2-(1H-imidazol-2-yl)ethyl]-4-phenylpiperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 171913319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).