N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide

C21H26N2O2 — CID 110009371

IUPACN-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C21H26N2O2/c1-16-4-2-3-5-20(16)21(25)22-19-10-12-23(13-11-19)14-17-6-8-18(15-24)9-7-17/h2-9,19,24H,10-15H2,1H3,(H,22,25)
InChIKeyCNNCXAJVAWVPKV-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds5

About N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 110009371) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID110009371
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C21H26N2O2/c1-16-4-2-3-5-20(16)21(25)22-19-10-12-23(13-11-19)14-17-6-8-18(15-24)9-7-17/h2-9,19,24H,10-15H2,1H3,(H,22,25)
InChIKeyCNNCXAJVAWVPKV-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
N-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]-2-methylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 25010779
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 120898400

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide (CID 110009371) is N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1.
What is the InChIKey of N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is CNNCXAJVAWVPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-4-2-3-5-20(16)21(25)22-19-10-12-23(13-11-19)14-17-6-8-18(15-24)9-7-17/h2-9,19,24H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 110009371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).