(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide

C22H33FN4O3 — CID 9436374

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(F)cc1CN1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H33FN4O3/c1-16(21(28)25-22(29)24-19-6-4-3-5-7-19)27-12-10-26(11-13-27)15-17-14-18(23)8-9-20(17)30-2/h8-9,14,16,19H,3-7,10-13,15H2,1-2H3,(H2,24,25,28,29)/t16-/m1/s1
InChIKeyBJJFZIKLQRKOML-MRXNPFEDSA-N
MW420.53 g/mol
LogP2.50
Rot. Bonds6

About (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 9436374) has the molecular formula C22H33FN4O3 and a molecular weight of 420.53 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID9436374
Molecular FormulaC22H33FN4O3
Molecular Weight420.53 g/mol
Exact Mass420.25
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(F)cc1CN1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H33FN4O3/c1-16(21(28)25-22(29)24-19-6-4-3-5-7-19)27-12-10-26(11-13-27)15-17-14-18(23)8-9-20(17)30-2/h8-9,14,16,19H,3-7,10-13,15H2,1-2H3,(H2,24,25,28,29)/t16-/m1/s1
InChIKeyBJJFZIKLQRKOML-MRXNPFEDSA-N
XLogP2.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 112771065
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436296
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 9436374) is (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(F)cc1CN1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is BJJFZIKLQRKOML-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H33FN4O3/c1-16(21(28)25-22(29)24-19-6-4-3-5-7-19)27-12-10-26(11-13-27)15-17-14-18(23)8-9-20(17)30-2/h8-9,14,16,19H,3-7,10-13,15H2,1-2H3,(H2,24,25,28,29)/t16-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9436374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).