1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea

C24H31N3O — CID 67422842

IUPAC1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea
SMILESCN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c1-26(2)23(28)25-24(21-11-7-4-8-12-21)13-15-27(16-14-24)18-20-17-22(20)19-9-5-3-6-10-19/h3-12,20,22H,13-18H2,1-2H3,(H,25,28)/t20-,22+/m0/s1
InChIKeySJHPBJAVVNCTPW-RBBKRZOGSA-N
MW377.53 g/mol
LogP4.05
Rot. Bonds5

About 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea

1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea (PubChem CID 67422842) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea
PubChem CID67422842
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea
SMILESCN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c1-26(2)23(28)25-24(21-11-7-4-8-12-21)13-15-27(16-14-24)18-20-17-22(20)19-9-5-3-6-10-19/h3-12,20,22H,13-18H2,1-2H3,(H,25,28)/t20-,22+/m0/s1
InChIKeySJHPBJAVVNCTPW-RBBKRZOGSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea with MolForge

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Related Compounds

3-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea
CID 67424432
N-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]acetamide
CID 67422380
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
benzyl(methyl)carbamic acid;N-[1-[[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]acetamide
CID 67424081
N-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]acetamide;1-(4-methoxyphenyl)ethyl-methylcarbamic acid
CID 67424528
3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol
CID 71257843
cis-(1S,2R)-2-[[4-(dimethylcarbamoylamino)-4-phenylpiperidin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 67423837
2-[[4-(methylcarbamoylamino)-4-phenylpiperidin-1-yl]methyl]-1-phenylcyclopropane-1-carboxylic acid
CID 68768689
1-[1-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]ethanone;(4-fluorophenyl)methyl-methylcarbamic acid
CID 67422937
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 68771380
1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
CID 154859097

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea (CID 67422842) is 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea is CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea?
The InChIKey is SJHPBJAVVNCTPW-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H31N3O/c1-26(2)23(28)25-24(21-11-7-4-8-12-21)13-15-27(16-14-24)18-20-17-22(20)19-9-5-3-6-10-19/h3-12,20,22H,13-18H2,1-2H3,(H,25,28)/t20-,22+/m0/s1.
What are the key properties of 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea?
1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea has a molecular weight of 377.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 67422842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).