N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide

C18H28N2O2 — CID 110008877

IUPACN-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCCN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C18H28N2O2/c1-14(2)18(22)19-10-17-4-3-9-20(12-17)11-15-5-7-16(13-21)8-6-15/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeySMQJXJGMVDXFAF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide

N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 110008877) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID110008877
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCCN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C18H28N2O2/c1-14(2)18(22)19-10-17-4-3-9-20(12-17)11-15-5-7-16(13-21)8-6-15/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeySMQJXJGMVDXFAF-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 129432725
2-methyl-N-[[(3S)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidin-3-yl]methyl]propanamide
CID 99797094
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95182196

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide (CID 110008877) is N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CCCN(Cc2ccc(CO)cc2)C1.
What is the InChIKey of N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is SMQJXJGMVDXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)18(22)19-10-17-4-3-9-20(12-17)11-15-5-7-16(13-21)8-6-15/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 2.16, 6 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-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 110008877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).