4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide

C18H24FN3O2 — CID 97092884

IUPAC4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c1-12(23)21(2)15-7-9-22(10-8-15)18(24)20-17-11-16(17)13-3-5-14(19)6-4-13/h3-6,15-17H,7-11H2,1-2H3,(H,20,24)/t16-,17-/m0/s1
InChIKeyCRVIWJNTPKODBF-IRXDYDNUSA-N
MW333.41 g/mol
LogP2.33
Rot. Bonds3

About 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide

4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide (PubChem CID 97092884) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide
PubChem CID97092884
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c1-12(23)21(2)15-7-9-22(10-8-15)18(24)20-17-11-16(17)13-3-5-14(19)6-4-13/h3-6,15-17H,7-11H2,1-2H3,(H,20,24)/t16-,17-/m0/s1
InChIKeyCRVIWJNTPKODBF-IRXDYDNUSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide (CID 97092884) is 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide is CC(=O)N(C)C1CCN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide?
The InChIKey is CRVIWJNTPKODBF-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12(23)21(2)15-7-9-22(10-8-15)18(24)20-17-11-16(17)13-3-5-14(19)6-4-13/h3-6,15-17H,7-11H2,1-2H3,(H,20,24)/t16-,17-/m0/s1.
What are the key properties of 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide?
4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 97092884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).