(4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone

C17H30N2O — CID 58584508

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-14(2)17(8-9-17)16(20)19-12-6-15(7-13-19)18-10-4-3-5-11-18/h14-15H,3-13H2,1-2H3
InChIKeyGMQRPUJXBOZWIG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds3

About (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone

(4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone (PubChem CID 58584508) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
PubChem CID58584508
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-14(2)17(8-9-17)16(20)19-12-6-15(7-13-19)18-10-4-3-5-11-18/h14-15H,3-13H2,1-2H3
InChIKeyGMQRPUJXBOZWIG-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone (CID 58584508) is (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone is CC(C)C1(C(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The InChIKey is GMQRPUJXBOZWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)17(8-9-17)16(20)19-12-6-15(7-13-19)18-10-4-3-5-11-18/h14-15H,3-13H2,1-2H3.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
(4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone has a molecular weight of 278.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 58584508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).