(2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide

C24H29N5O4 — CID 11476483

IUPAC(2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(NC(=O)N[C@H](CCc3ccccc3)C(N)=O)c2)CC1
InChIInChI=1S/C24H29N5O4/c1-17(30)28-12-14-29(15-13-28)23(32)19-8-5-9-20(16-19)26-24(33)27-21(22(25)31)11-10-18-6-3-2-4-7-18/h2-9,16,21H,10-15H2,1H3,(H2,25,31)(H2,26,27,33)/t21-/m1/s1
InChIKeyBJKMXKIYCZWZJH-OAQYLSRUSA-N
MW451.53 g/mol
LogP1.60
Rot. Bonds7

About (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide

(2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide (PubChem CID 11476483) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide
PubChem CID11476483
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(NC(=O)N[C@H](CCc3ccccc3)C(N)=O)c2)CC1
InChIInChI=1S/C24H29N5O4/c1-17(30)28-12-14-29(15-13-28)23(32)19-8-5-9-20(16-19)26-24(33)27-21(22(25)31)11-10-18-6-3-2-4-7-18/h2-9,16,21H,10-15H2,1H3,(H2,25,31)(H2,26,27,33)/t21-/m1/s1
InChIKeyBJKMXKIYCZWZJH-OAQYLSRUSA-N
XLogP1.60
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
benzyl (4R)-5-(4-benzoylpiperazin-1-yl)-4-[(3-methylphenyl)carbamoylamino]-5-oxopentanoate
CID 71452639
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 941056
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
3-[(1-carboxy-2-phenylethyl)carbamoylamino]benzoic acid
CID 3763107
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide?
The IUPAC name of (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide (CID 11476483) is (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide?
The canonical SMILES for (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide is CC(=O)N1CCN(C(=O)c2cccc(NC(=O)N[C@H](CCc3ccccc3)C(N)=O)c2)CC1.
What is the InChIKey of (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide?
The InChIKey is BJKMXKIYCZWZJH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-17(30)28-12-14-29(15-13-28)23(32)19-8-5-9-20(16-19)26-24(33)27-21(22(25)31)11-10-18-6-3-2-4-7-18/h2-9,16,21H,10-15H2,1H3,(H2,25,31)(H2,26,27,33)/t21-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide?
(2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide has a molecular weight of 451.53 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]carbamoylamino]-4-phenylbutanamide is sourced from PubChem (CID 11476483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).