[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea

C16H23N3O3 — CID 95867203

IUPAC[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1cccc(OC[C@H]2CCCN(C(=O)CNC(N)=O)C2)c1
InChIInChI=1S/C16H23N3O3/c1-12-4-2-6-14(8-12)22-11-13-5-3-7-19(10-13)15(20)9-18-16(17)21/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H3,17,18,21)/t13-/m0/s1
InChIKeyLYLZEYRXHHYFOH-ZDUSSCGKSA-N
MW305.38 g/mol
LogP1.28
Rot. Bonds5

About [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea

[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 95867203) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID95867203
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1cccc(OC[C@H]2CCCN(C(=O)CNC(N)=O)C2)c1
InChIInChI=1S/C16H23N3O3/c1-12-4-2-6-14(8-12)22-11-13-5-3-7-19(10-13)15(20)9-18-16(17)21/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H3,17,18,21)/t13-/m0/s1
InChIKeyLYLZEYRXHHYFOH-ZDUSSCGKSA-N
XLogP1.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 70709054
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70734020
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
1-[3-(aminomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 119464975
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691
4,6-dimethyl-5-[3-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one
CID 95872939
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea (CID 95867203) is [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea is Cc1cccc(OC[C@H]2CCCN(C(=O)CNC(N)=O)C2)c1.
What is the InChIKey of [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is LYLZEYRXHHYFOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-4-2-6-14(8-12)22-11-13-5-3-7-19(10-13)15(20)9-18-16(17)21/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H3,17,18,21)/t13-/m0/s1.
What are the key properties of [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 305.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 95867203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).