(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide

C26H35N3O2 — CID 157015996

IUPAC(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O2/c1-28-15-12-24(30)23(19-28)25(31)27-20-26(22-10-6-3-7-11-22)13-16-29(17-14-26)18-21-8-4-2-5-9-21/h2-11,23-24,30H,12-20H2,1H3,(H,27,31)/t23-,24-/m1/s1
InChIKeyMEMGNHOKFCZJQR-DNQXCXABSA-N
MW421.59 g/mol
LogP2.65
Rot. Bonds6

About (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide

(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide (PubChem CID 157015996) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
PubChem CID157015996
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O2/c1-28-15-12-24(30)23(19-28)25(31)27-20-26(22-10-6-3-7-11-22)13-16-29(17-14-26)18-21-8-4-2-5-9-21/h2-11,23-24,30H,12-20H2,1H3,(H,27,31)/t23-,24-/m1/s1
InChIKeyMEMGNHOKFCZJQR-DNQXCXABSA-N
XLogP2.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
1-[(3-chlorophenyl)methyl]-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 100500131
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
1-[(1-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 51122194
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
(2R)-6-[(2-hydroxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26276877
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide (CID 157015996) is (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide is CN1CC[C@@H](O)[C@H](C(=O)NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The InChIKey is MEMGNHOKFCZJQR-DNQXCXABSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-28-15-12-24(30)23(19-28)25(31)27-20-26(22-10-6-3-7-11-22)13-16-29(17-14-26)18-21-8-4-2-5-9-21/h2-11,23-24,30H,12-20H2,1H3,(H,27,31)/t23-,24-/m1/s1.
What are the key properties of (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 157015996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).