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

C16H22N2O3 — CID 110900071

IUPACN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C16H22N2O3/c1-2-15(20)17-14-7-3-6-13(9-14)16(21)18-8-4-5-12(10-18)11-19/h3,6-7,9,12,19H,2,4-5,8,10-11H2,1H3,(H,17,20)
InChIKeyDDBRNPUWPDCMCL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds4

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

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide (PubChem CID 110900071) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
PubChem CID110900071
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C16H22N2O3/c1-2-15(20)17-14-7-3-6-13(9-14)16(21)18-8-4-5-12(10-18)11-19/h3,6-7,9,12,19H,2,4-5,8,10-11H2,1H3,(H,17,20)
InChIKeyDDBRNPUWPDCMCL-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 154850019
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
CID 111777991
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide
CID 126800020
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide (CID 110900071) is N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is DDBRNPUWPDCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-15(20)17-14-7-3-6-13(9-14)16(21)18-8-4-5-12(10-18)11-19/h3,6-7,9,12,19H,2,4-5,8,10-11H2,1H3,(H,17,20).
What are the key properties of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide?
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 110900071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).