N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide

C18H26N2O3 — CID 110931885

IUPACN-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)10-17(22)19-16-5-3-4-15(11-16)18(23)20-8-6-14(12-21)7-9-20/h3-5,11,13-14,21H,6-10,12H2,1-2H3,(H,19,22)
InChIKeyKLJLQNGCNARUSW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.52
Rot. Bonds5

About N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide

N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide (PubChem CID 110931885) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
PubChem CID110931885
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)10-17(22)19-16-5-3-4-15(11-16)18(23)20-8-6-14(12-21)7-9-20/h3-5,11,13-14,21H,6-10,12H2,1-2H3,(H,19,22)
InChIKeyKLJLQNGCNARUSW-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 56510698
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
CID 56511594
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-methylbutanamide
CID 26159915
N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide
CID 56826279
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806834
[3-[4-(1-hydroxyethyl)phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 119068135
[3-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 126441230
1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 46375210

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide (CID 110931885) is N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(C(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
The InChIKey is KLJLQNGCNARUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)10-17(22)19-16-5-3-4-15(11-16)18(23)20-8-6-14(12-21)7-9-20/h3-5,11,13-14,21H,6-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide has a molecular weight of 318.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 110931885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).