(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone

C10H19N3O — CID 94915356

IUPAC(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2CCNC2)CC1
InChIInChI=1S/C10H19N3O/c1-12-4-6-13(7-5-12)10(14)9-2-3-11-8-9/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyRUVBKIPDBYYZBN-SECBINFHSA-N
MW197.28 g/mol
LogP-0.63
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone

(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 94915356) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID94915356
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2CCNC2)CC1
InChIInChI=1S/C10H19N3O/c1-12-4-6-13(7-5-12)10(14)9-2-3-11-8-9/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyRUVBKIPDBYYZBN-SECBINFHSA-N
XLogP-0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582
N,N-dimethyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63005583
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 160696762

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone (CID 94915356) is (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone is CN1CCN(C(=O)[C@@H]2CCNC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is RUVBKIPDBYYZBN-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-4-6-13(7-5-12)10(14)9-2-3-11-8-9/h9,11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 197.28 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 94915356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).