[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

C14H28N4O — CID 114525980

IUPAC[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCN(C)CCCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H28N4O/c1-16(2)8-4-10-17-9-3-5-13(17)14(19)18-11-6-15-7-12-18/h13,15H,3-12H2,1-2H3
InChIKeyFKBYNSHSDLMWDP-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.17
Rot. Bonds5

About [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 114525980) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID114525980
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCN(C)CCCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H28N4O/c1-16(2)8-4-10-17-9-3-5-13(17)14(19)18-11-6-15-7-12-18/h13,15H,3-12H2,1-2H3
InChIKeyFKBYNSHSDLMWDP-UHFFFAOYSA-N
XLogP-0.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 114525980) is [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is CN(C)CCCN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is FKBYNSHSDLMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-16(2)8-4-10-17-9-3-5-13(17)14(19)18-11-6-15-7-12-18/h13,15H,3-12H2,1-2H3.
What are the key properties of [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 268.40 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 114525980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).