1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea

C19H31N3O2 — CID 75425276

IUPAC1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea
SMILESCC1CN(C)CCC1N(C)C(=O)NC(C)C(C)Oc1ccccc1
InChIInChI=1S/C19H31N3O2/c1-14-13-21(4)12-11-18(14)22(5)19(23)20-15(2)16(3)24-17-9-7-6-8-10-17/h6-10,14-16,18H,11-13H2,1-5H3,(H,20,23)
InChIKeyPJHNABBCBJTEQL-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.82
Rot. Bonds5

About 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea

1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea (PubChem CID 75425276) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea
PubChem CID75425276
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea
SMILESCC1CN(C)CCC1N(C)C(=O)NC(C)C(C)Oc1ccccc1
InChIInChI=1S/C19H31N3O2/c1-14-13-21(4)12-11-18(14)22(5)19(23)20-15(2)16(3)24-17-9-7-6-8-10-17/h6-10,14-16,18H,11-13H2,1-5H3,(H,20,23)
InChIKeyPJHNABBCBJTEQL-UHFFFAOYSA-N
XLogP2.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-(2-methoxyphenyl)-1-methylurea
CID 95784313
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 86768670
3-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1-methylurea
CID 129424697
3-[3-chloro-2-(methoxymethyl)phenyl]-1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methylurea
CID 97228493
1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 95784312
4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
CID 136513710
N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 100596520
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-[(1S,2R)-2-methoxycycloheptyl]-1-methylurea
CID 124865017
1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1,3-dimethylpiperidin-4-yl)urea
CID 70653361
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea (CID 75425276) is 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea is CC1CN(C)CCC1N(C)C(=O)NC(C)C(C)Oc1ccccc1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea?
The InChIKey is PJHNABBCBJTEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14-13-21(4)12-11-18(14)22(5)19(23)20-15(2)16(3)24-17-9-7-6-8-10-17/h6-10,14-16,18H,11-13H2,1-5H3,(H,20,23).
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea?
1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea is sourced from PubChem (CID 75425276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).