4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

C19H35N5O2 — CID 58635530

IUPAC4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESC[C@H]1CN(C2(C)CCNCC2)CCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C19H35N5O2/c1-15-14-23(19(2)5-7-21-8-6-19)11-12-24(15)17(25)13-16-3-9-22(10-4-16)18(20)26/h15-16,21H,3-14H2,1-2H3,(H2,20,26)/t15-/m0/s1
InChIKeyOMPCQRTXKFDXFE-HNNXBMFYSA-N
MW365.52 g/mol
LogP0.84
Rot. Bonds3

About 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 58635530) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID58635530
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESC[C@H]1CN(C2(C)CCNCC2)CCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C19H35N5O2/c1-15-14-23(19(2)5-7-21-8-6-19)11-12-24(15)17(25)13-16-3-9-22(10-4-16)18(20)26/h15-16,21H,3-14H2,1-2H3,(H2,20,26)/t15-/m0/s1
InChIKeyOMPCQRTXKFDXFE-HNNXBMFYSA-N
XLogP0.84
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 115740592
4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide
CID 18713027
1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114085746
1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane
CID 143776516
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210
aziridine;aziridine-1-carboxamide
CID 157196797
1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
CID 69047324

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (CID 58635530) is 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is C[C@H]1CN(C2(C)CCNCC2)CCN1C(=O)CC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is OMPCQRTXKFDXFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-15-14-23(19(2)5-7-21-8-6-19)11-12-24(15)17(25)13-16-3-9-22(10-4-16)18(20)26/h15-16,21H,3-14H2,1-2H3,(H2,20,26)/t15-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 58635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).