4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one

C19H30N4O3 — CID 95556143

IUPAC4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)CCN1
InChIInChI=1S/C19H30N4O3/c24-17-13-23(11-7-20-17)19(26)15-2-1-8-22(12-15)16-5-9-21(10-6-16)18(25)14-3-4-14/h14-16H,1-13H2,(H,20,24)/t15-/m0/s1
InChIKeyHSDKGGAFQYMDSH-HNNXBMFYSA-N
MW362.47 g/mol
LogP0.06
Rot. Bonds3

About 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one

4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one (PubChem CID 95556143) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one
PubChem CID95556143
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)CCN1
InChIInChI=1S/C19H30N4O3/c24-17-13-23(11-7-20-17)19(26)15-2-1-8-22(12-15)16-5-9-21(10-6-16)18(25)14-3-4-14/h14-16H,1-13H2,(H,20,24)/t15-/m0/s1
InChIKeyHSDKGGAFQYMDSH-HNNXBMFYSA-N
XLogP0.06
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549664
4-(3-aminocyclopentanecarbonyl)piperazin-2-one
CID 66030479
4-(4-aminocyclohexanecarbonyl)-1,4-diazepan-2-one
CID 65366220
4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
CID 94915607
4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
CID 130677789
4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
CID 35795581
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
4-(oxane-4-carbonyl)-1,4-diazepan-2-one
CID 62896279
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid
CID 63888290
4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
CID 71785545

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one (CID 95556143) is 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)CCN1.
What is the InChIKey of 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one?
The InChIKey is HSDKGGAFQYMDSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-17-13-23(11-7-20-17)19(26)15-2-1-8-22(12-15)16-5-9-21(10-6-16)18(25)14-3-4-14/h14-16H,1-13H2,(H,20,24)/t15-/m0/s1.
What are the key properties of 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one?
4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one has a molecular weight of 362.47 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 95556143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).