(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C18H33N3O — CID 20813674

IUPAC(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-15(2)19-11-5-16(6-12-19)18(22)21-13-7-17(8-14-21)20-9-3-4-10-20/h15-17H,3-14H2,1-2H3
InChIKeyHOWCRKXNQHKAGC-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.19
Rot. Bonds3

About (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 20813674) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID20813674
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-15(2)19-11-5-16(6-12-19)18(22)21-13-7-17(8-14-21)20-9-3-4-10-20/h15-17H,3-14H2,1-2H3
InChIKeyHOWCRKXNQHKAGC-UHFFFAOYSA-N
XLogP2.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 20813674) is (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CC(C)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.
What is the InChIKey of (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HOWCRKXNQHKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-15(2)19-11-5-16(6-12-19)18(22)21-13-7-17(8-14-21)20-9-3-4-10-20/h15-17H,3-14H2,1-2H3.
What are the key properties of (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 307.48 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 20813674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).