1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea

C21H33N3O2 — CID 136584213

IUPAC1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea
SMILESCC(C)O[C@@]1(C)C[C@H]1NC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-15(2)26-21(4)14-19(21)23-20(25)22-18-10-12-24(13-11-18)16(3)17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H2,22,23,25)/t16?,19-,21+/m1/s1
InChIKeyVAZXIFVLILDCRX-MDFYDDKXSA-N
MW359.51 g/mol
LogP3.47
Rot. Bonds6

About 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea

1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea (PubChem CID 136584213) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea
PubChem CID136584213
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea
SMILESCC(C)O[C@@]1(C)C[C@H]1NC(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-15(2)26-21(4)14-19(21)23-20(25)22-18-10-12-24(13-11-18)16(3)17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H2,22,23,25)/t16?,19-,21+/m1/s1
InChIKeyVAZXIFVLILDCRX-MDFYDDKXSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 111422903
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
CID 97214154
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040928
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
methyl (2S)-2-[[1-[(1S)-1-phenylethyl]piperidin-4-yl]amino]butanoate
CID 124625205

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea (CID 136584213) is 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea is CC(C)O[C@@]1(C)C[C@H]1NC(=O)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
The InChIKey is VAZXIFVLILDCRX-MDFYDDKXSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15(2)26-21(4)14-19(21)23-20(25)22-18-10-12-24(13-11-18)16(3)17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H2,22,23,25)/t16?,19-,21+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea?
1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea has a molecular weight of 359.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 136584213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).