2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide

C19H28N4O2 — CID 131911214

IUPAC2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCN1CCN(C(=O)C2CCCN(CC(N)=O)C2)C(c2ccccc2)C1
InChIInChI=1S/C19H28N4O2/c1-21-10-11-23(17(13-21)15-6-3-2-4-7-15)19(25)16-8-5-9-22(12-16)14-18(20)24/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,20,24)
InChIKeyUMXBLXZTQIQKOB-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.70
Rot. Bonds4

About 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide

2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 131911214) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID131911214
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCN1CCN(C(=O)C2CCCN(CC(N)=O)C2)C(c2ccccc2)C1
InChIInChI=1S/C19H28N4O2/c1-21-10-11-23(17(13-21)15-6-3-2-4-7-15)19(25)16-8-5-9-22(12-16)14-18(20)24/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,20,24)
InChIKeyUMXBLXZTQIQKOB-UHFFFAOYSA-N
XLogP0.70
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51266743
2-[3-(2-pyridin-2-ylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 131908358
2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745
2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 96579249
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide (CID 131911214) is 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide is CN1CCN(C(=O)C2CCCN(CC(N)=O)C2)C(c2ccccc2)C1.
What is the InChIKey of 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is UMXBLXZTQIQKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-10-11-23(17(13-21)15-6-3-2-4-7-15)19(25)16-8-5-9-22(12-16)14-18(20)24/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,20,24).
What are the key properties of 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide?
2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 131911214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).