[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea

C23H29N3O2 — CID 25492389

IUPAC[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
SMILESCc1ccc(CCC2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-2-4-18(5-3-17)6-7-19-12-14-26(15-13-19)22(27)21-10-8-20(9-11-21)16-25-23(24)28/h2-5,8-11,19H,6-7,12-16H2,1H3,(H3,24,25,28)
InChIKeyTTWXMXRRUTXDSR-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.65
Rot. Bonds6

About [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea

[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea (PubChem CID 25492389) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
PubChem CID25492389
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
SMILESCc1ccc(CCC2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-2-4-18(5-3-17)6-7-19-12-14-26(15-13-19)22(27)21-10-8-20(9-11-21)16-25-23(24)28/h2-5,8-11,19H,6-7,12-16H2,1H3,(H3,24,25,28)
InChIKeyTTWXMXRRUTXDSR-UHFFFAOYSA-N
XLogP3.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 24567090
N-[(4-ethylphenyl)methyl]-2-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 46295096
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
(3,5-dinitrophenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608433
2-[1-[4-[(carbamoylamino)methyl]benzoyl]azetidin-3-yl]acetic acid
CID 64604965
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 24571460
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
CID 96500816
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea?
The IUPAC name of [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea (CID 25492389) is [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea.
What is the SMILES notation for [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea?
The canonical SMILES for [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea is Cc1ccc(CCC2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1.
What is the InChIKey of [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea?
The InChIKey is TTWXMXRRUTXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-2-4-18(5-3-17)6-7-19-12-14-26(15-13-19)22(27)21-10-8-20(9-11-21)16-25-23(24)28/h2-5,8-11,19H,6-7,12-16H2,1H3,(H3,24,25,28).
What are the key properties of [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea?
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea has a molecular weight of 379.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea is sourced from PubChem (CID 25492389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).