1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea

C15H25N3O — CID 163565567

IUPAC1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea
SMILESCC1=CC=CCC1CCN(C(N)=O)C1CCNCC1
InChIInChI=1S/C15H25N3O/c1-12-4-2-3-5-13(12)8-11-18(15(16)19)14-6-9-17-10-7-14/h2-4,13-14,17H,5-11H2,1H3,(H2,16,19)
InChIKeyFUWTVUHKCPJNEG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea

1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea (PubChem CID 163565567) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea
PubChem CID163565567
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea
SMILESCC1=CC=CCC1CCN(C(N)=O)C1CCNCC1
InChIInChI=1S/C15H25N3O/c1-12-4-2-3-5-13(12)8-11-18(15(16)19)14-6-9-17-10-7-14/h2-4,13-14,17H,5-11H2,1H3,(H2,16,19)
InChIKeyFUWTVUHKCPJNEG-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 61403429
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea?
The IUPAC name of 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea (CID 163565567) is 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea.
What is the SMILES notation for 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea?
The canonical SMILES for 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea is CC1=CC=CCC1CCN(C(N)=O)C1CCNCC1.
What is the InChIKey of 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea?
The InChIKey is FUWTVUHKCPJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-4-2-3-5-13(12)8-11-18(15(16)19)14-6-9-17-10-7-14/h2-4,13-14,17H,5-11H2,1H3,(H2,16,19).
What are the key properties of 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea?
1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea has a molecular weight of 263.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexa-2,4-dien-1-yl)ethyl]-1-piperidin-4-ylurea is sourced from PubChem (CID 163565567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).