[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H29N3O2 — CID 16740896

IUPAC[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCCN(CC1CC1)CC1CCCN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3
InChIKeyYOHXAWINNWHSND-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.96
Rot. Bonds7

About [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 16740896) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID16740896
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCCN(CC1CC1)CC1CCCN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3
InChIKeyYOHXAWINNWHSND-UHFFFAOYSA-N
XLogP2.96
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 25304662
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 81457893
[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129400871
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863871
2-chloro-4-[cyclohexylmethyl-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 71091549
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95872642
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 16740896) is [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is CCCN(CC1CC1)CC1CCCN(C(=O)c2cc(C)on2)C1.
What is the InChIKey of [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YOHXAWINNWHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3.
What are the key properties of [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclopropylmethyl(propyl)amino]methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 16740896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).