N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide

C12H22N4O2 — CID 60717609

IUPACN-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C12H22N4O2/c1-13-11(17)9-15-5-7-16(8-6-15)12(18)10-3-2-4-14-10/h10,14H,2-9H2,1H3,(H,13,17)
InChIKeyOYWGMSISOKQGRF-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds3

About N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide

N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 60717609) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID60717609
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C12H22N4O2/c1-13-11(17)9-15-5-7-16(8-6-15)12(18)10-3-2-4-14-10/h10,14H,2-9H2,1H3,(H,13,17)
InChIKeyOYWGMSISOKQGRF-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
N,N-dimethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 103813307
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119836395
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
2-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62825334
2-[4-(piperidine-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60940035
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837819
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119876760
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide (CID 60717609) is N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is OYWGMSISOKQGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-13-11(17)9-15-5-7-16(8-6-15)12(18)10-3-2-4-14-10/h10,14H,2-9H2,1H3,(H,13,17).
What are the key properties of N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide?
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 254.33 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60717609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).