[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone

C18H34N4O — CID 124694194

IUPAC[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
SMILESC[C@@H]1CC[C@H](C)N1CCN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C18H34N4O/c1-15-3-4-16(2)22(15)14-11-20-9-12-21(13-10-20)18(23)17-5-7-19-8-6-17/h15-17,19H,3-14H2,1-2H3/t15-,16+
InChIKeyZJMYXZXKESOAOF-IYBDPMFKSA-N
MW322.50 g/mol
LogP1.00
Rot. Bonds4

About [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone

[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 124694194) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID124694194
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
SMILESC[C@@H]1CC[C@H](C)N1CCN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C18H34N4O/c1-15-3-4-16(2)22(15)14-11-20-9-12-21(13-10-20)18(23)17-5-7-19-8-6-17/h15-17,19H,3-14H2,1-2H3/t15-,16+
InChIKeyZJMYXZXKESOAOF-IYBDPMFKSA-N
XLogP1.00
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone with MolForge

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Related Compounds

ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone
CID 124694222
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
(2S)-2-amino-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 124603762
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
CID 60851611
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582
1-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119869077
1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane
CID 176683556

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone (CID 124694194) is [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone is C[C@@H]1CC[C@H](C)N1CCN1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is ZJMYXZXKESOAOF-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15-3-4-16(2)22(15)14-11-20-9-12-21(13-10-20)18(23)17-5-7-19-8-6-17/h15-17,19H,3-14H2,1-2H3/t15-,16+.
What are the key properties of [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone?
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 322.50 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 124694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).