N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide

C22H32N2O3 — CID 97268661

IUPACN-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCCO2)CC1
InChIInChI=1S/C22H32N2O3/c1-23(17-19-7-3-2-4-8-19)21(25)11-10-18-12-14-24(15-13-18)22(26)20-9-5-6-16-27-20/h2-4,7-8,18,20H,5-6,9-17H2,1H3/t20-/m1/s1
InChIKeyIESIVOMMLUVRKT-HXUWFJFHSA-N
MW372.51 g/mol
LogP3.23
Rot. Bonds6

About N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide (PubChem CID 97268661) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
PubChem CID97268661
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCCO2)CC1
InChIInChI=1S/C22H32N2O3/c1-23(17-19-7-3-2-4-8-19)21(25)11-10-18-12-14-24(15-13-18)22(26)20-9-5-6-16-27-20/h2-4,7-8,18,20H,5-6,9-17H2,1H3/t20-/m1/s1
InChIKeyIESIVOMMLUVRKT-HXUWFJFHSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
CID 42456995
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 42379086
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 125008644
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369
[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 45183893
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
N-methoxy-N-[1-[[1-(oxolane-2-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]benzamide
CID 91602871
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide (CID 97268661) is N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCCO2)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is IESIVOMMLUVRKT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-23(17-19-7-3-2-4-8-19)21(25)11-10-18-12-14-24(15-13-18)22(26)20-9-5-6-16-27-20/h2-4,7-8,18,20H,5-6,9-17H2,1H3/t20-/m1/s1.
What are the key properties of N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 97268661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).