4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide

C18H31N5O3 — CID 136515792

IUPAC4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
SMILESCN1CCCC1C(=O)N1CCN(C(=O)NCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H31N5O3/c1-20-7-5-6-15(20)17(25)22-10-12-23(13-11-22)18(26)19-14-16(24)21-8-3-2-4-9-21/h15H,2-14H2,1H3,(H,19,26)
InChIKeyVYORQBMLIDKPTM-UHFFFAOYSA-N
MW365.48 g/mol
LogP-0.05
Rot. Bonds3

About 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide

4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 136515792) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID136515792
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
SMILESCN1CCCC1C(=O)N1CCN(C(=O)NCC(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H31N5O3/c1-20-7-5-6-15(20)17(25)22-10-12-23(13-11-22)18(26)19-14-16(24)21-8-3-2-4-9-21/h15H,2-14H2,1H3,(H,19,26)
InChIKeyVYORQBMLIDKPTM-UHFFFAOYSA-N
XLogP-0.05
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 167894004
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 136579931
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
CID 110850171
N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 127596134
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 138044085
(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 145087552

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide (CID 136515792) is 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide is CN1CCCC1C(=O)N1CCN(C(=O)NCC(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is VYORQBMLIDKPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-20-7-5-6-15(20)17(25)22-10-12-23(13-11-22)18(26)19-14-16(24)21-8-3-2-4-9-21/h15H,2-14H2,1H3,(H,19,26).
What are the key properties of 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide?
4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidine-2-carbonyl)-N-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 136515792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).