(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone

C12H23N3O — CID 94915615

IUPAC(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESCCCN1CCN(C(=O)[C@H]2CCNC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-5-14-6-8-15(9-7-14)12(16)11-3-4-13-10-11/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyUDJYROVNZNATCW-NSHDSACASA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds3

About (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone

(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 94915615) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID94915615
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESCCCN1CCN(C(=O)[C@H]2CCNC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-5-14-6-8-15(9-7-14)12(16)11-3-4-13-10-11/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyUDJYROVNZNATCW-NSHDSACASA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119837527
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (CID 94915615) is (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is CCCN1CCN(C(=O)[C@H]2CCNC2)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is UDJYROVNZNATCW-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-5-14-6-8-15(9-7-14)12(16)11-3-4-13-10-11/h11,13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 94915615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).