cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C22H31FN2O2 — CID 97330422

IUPACcis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(CC2(O)CCCCC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O2/c23-17-6-4-16(5-7-17)19-14-20(19)21(26)24-18-8-12-25(13-9-18)15-22(27)10-2-1-3-11-22/h4-7,18-20,27H,1-3,8-15H2,(H,24,26)/t19-,20-/m1/s1
InChIKeyFCTUUMNJKNKEOA-WOJBJXKFSA-N
MW374.50 g/mol
LogP3.20
Rot. Bonds5

About cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 97330422) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID97330422
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Namecis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(CC2(O)CCCCC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H31FN2O2/c23-17-6-4-16(5-7-17)19-14-20(19)21(26)24-18-8-12-25(13-9-18)15-22(27)10-2-1-3-11-22/h4-7,18-20,27H,1-3,8-15H2,(H,24,26)/t19-,20-/m1/s1
InChIKeyFCTUUMNJKNKEOA-WOJBJXKFSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 97330422) is cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is O=C(NC1CCN(CC2(O)CCCCC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is FCTUUMNJKNKEOA-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H31FN2O2/c23-17-6-4-16(5-7-17)19-14-20(19)21(26)24-18-8-12-25(13-9-18)15-22(27)10-2-1-3-11-22/h4-7,18-20,27H,1-3,8-15H2,(H,24,26)/t19-,20-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).