(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone

C16H30N2O — CID 106975090

IUPAC(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1CCN(C(=O)C2(CCC)CCCN2)CC1
InChIInChI=1S/C16H30N2O/c1-3-6-14-7-12-18(13-8-14)15(19)16(9-4-2)10-5-11-17-16/h14,17H,3-13H2,1-2H3
InChIKeyDPDPYNMJIPCOFR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds5

About (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone

(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106975090) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106975090
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1CCN(C(=O)C2(CCC)CCCN2)CC1
InChIInChI=1S/C16H30N2O/c1-3-6-14-7-12-18(13-8-14)15(19)16(9-4-2)10-5-11-17-16/h14,17H,3-13H2,1-2H3
InChIKeyDPDPYNMJIPCOFR-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone (CID 106975090) is (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1CCN(C(=O)C2(CCC)CCCN2)CC1.
What is the InChIKey of (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is DPDPYNMJIPCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-6-14-7-12-18(13-8-14)15(19)16(9-4-2)10-5-11-17-16/h14,17H,3-13H2,1-2H3.
What are the key properties of (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone?
(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106975090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).