N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide

C20H24N2O — CID 23538

IUPACN-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
SMILESO=CNCC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c23-17-21-16-20(19-9-5-2-6-10-19)11-13-22(14-12-20)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,21,23)
InChIKeyVPSVRBGAMQZWAC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.97
Rot. Bonds6

About N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide

N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide (PubChem CID 23538) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
PubChem CID23538
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
SMILESO=CNCC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c23-17-21-16-20(19-9-5-2-6-10-19)11-13-22(14-12-20)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,21,23)
InChIKeyVPSVRBGAMQZWAC-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
1-benzyl-4-(isocyanomethyl)-4-phenylpiperidine
CID 5115779
1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
CID 174309870
N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide
CID 167108133
(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157015996
5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 137342769
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
CID 827171
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide
CID 174895118
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide?
The IUPAC name of N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide (CID 23538) is N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide is O=CNCC1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide?
The InChIKey is VPSVRBGAMQZWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-17-21-16-20(19-9-5-2-6-10-19)11-13-22(14-12-20)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,21,23).
What are the key properties of N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide?
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide has a molecular weight of 308.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 23538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).