N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C19H29FN4O3 — CID 9436434

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C19H29FN4O3/c1-4-14(2)21-19(26)22-18(25)13-24-9-7-23(8-10-24)12-15-11-16(20)5-6-17(15)27-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H2,21,22,25,26)/t14-/m0/s1
InChIKeyRXSWKAIMSYADRQ-AWEZNQCLSA-N
MW380.46 g/mol
LogP1.58
Rot. Bonds7

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9436434) has the molecular formula C19H29FN4O3 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9436434
Molecular FormulaC19H29FN4O3
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C19H29FN4O3/c1-4-14(2)21-19(26)22-18(25)13-24-9-7-23(8-10-24)12-15-11-16(20)5-6-17(15)27-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H2,21,22,25,26)/t14-/m0/s1
InChIKeyRXSWKAIMSYADRQ-AWEZNQCLSA-N
XLogP1.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
(2S)-N-ethyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8972470
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436470
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436462
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 119833164

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9436434) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is CC[C@H](C)NC(=O)NC(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RXSWKAIMSYADRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29FN4O3/c1-4-14(2)21-19(26)22-18(25)13-24-9-7-23(8-10-24)12-15-11-16(20)5-6-17(15)27-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H2,21,22,25,26)/t14-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 380.46 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9436434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).