prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

C25H36N2O3 — CID 118290136

IUPACprop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESC=CCOC(=O)N(CC1(COCC2CCC2)CCNCC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H36N2O3/c1-2-15-30-24(28)27(23-16-22(23)21-9-4-3-5-10-21)18-25(11-13-26-14-12-25)19-29-17-20-7-6-8-20/h2-5,9-10,20,22-23,26H,1,6-8,11-19H2/t22-,23+/m0/s1
InChIKeyCXVREFRWJPTTQN-XZOQPEGZSA-N
MW412.57 g/mol
LogP4.35
Rot. Bonds10

About prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (PubChem CID 118290136) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
PubChem CID118290136
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Nameprop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESC=CCOC(=O)N(CC1(COCC2CCC2)CCNCC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H36N2O3/c1-2-15-30-24(28)27(23-16-22(23)21-9-4-3-5-10-21)18-25(11-13-26-14-12-25)19-29-17-20-7-6-8-20/h2-5,9-10,20,22-23,26H,1,6-8,11-19H2/t22-,23+/m0/s1
InChIKeyCXVREFRWJPTTQN-XZOQPEGZSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate with MolForge

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Related Compounds

methyl 1-[[4-(cyclobutylmethoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]-prop-2-enoxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 118290785
N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297691
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297906
N-[[4-[(3-cyanophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290175
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 155265703
N-[[4-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290147
2,2,2-trifluoro-N-[[4-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;hydrochloride
CID 118290291
N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 158484291
tert-butyl 3-[[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]methyl]pyrrolidine-1-carboxylate
CID 155266096
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
2-phenyl-N,N-bis(prop-2-enyl)cyclopropan-1-amine
CID 67720717
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 137422504

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The IUPAC name of prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (CID 118290136) is prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is C=CCOC(=O)N(CC1(COCC2CCC2)CCNCC1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The InChIKey is CXVREFRWJPTTQN-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-2-15-30-24(28)27(23-16-22(23)21-9-4-3-5-10-21)18-25(11-13-26-14-12-25)19-29-17-20-7-6-8-20/h2-5,9-10,20,22-23,26H,1,6-8,11-19H2/t22-,23+/m0/s1.
What are the key properties of prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate has a molecular weight of 412.57 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[[4-(cyclobutylmethoxymethyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 118290136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).