N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide

C21H29N5O4 — CID 24610391

IUPACN-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N5O4/c1-15(27)22-18-12-17(13-19(14-18)23-16(2)28)20(29)24-8-10-26(11-9-24)21(30)25-6-4-3-5-7-25/h12-14H,3-11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyHHENJNLZRUIYEU-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.97
Rot. Bonds3

About N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 24610391) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID24610391
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC NameN-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N5O4/c1-15(27)22-18-12-17(13-19(14-18)23-16(2)28)20(29)24-8-10-26(11-9-24)21(30)25-6-4-3-5-7-25/h12-14H,3-11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyHHENJNLZRUIYEU-UHFFFAOYSA-N
XLogP1.97
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
CID 95040869
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 30855230
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 18108345
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide (CID 24610391) is N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1.
What is the InChIKey of N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is HHENJNLZRUIYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-15(27)22-18-12-17(13-19(14-18)23-16(2)28)20(29)24-8-10-26(11-9-24)21(30)25-6-4-3-5-7-25/h12-14H,3-11H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 24610391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).