2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C24H44N4O — CID 58826218

IUPAC2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCCN(CC1CC1)C1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C24H44N4O/c1-2-12-28(19-21-6-7-21)23-8-15-25(16-9-23)20-24(29)27-17-10-22(11-18-27)26-13-4-3-5-14-26/h21-23H,2-20H2,1H3
InChIKeyTUAYRMPVXGJABN-UHFFFAOYSA-N
MW404.64 g/mol
LogP3.05
Rot. Bonds8

About 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826218) has the molecular formula C24H44N4O and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826218
Molecular FormulaC24H44N4O
Molecular Weight404.64 g/mol
Exact Mass404.35
IUPAC Name2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCCN(CC1CC1)C1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C24H44N4O/c1-2-12-28(19-21-6-7-21)23-8-15-25(16-9-23)20-24(29)27-17-10-22(11-18-27)26-13-4-3-5-14-26/h21-23H,2-20H2,1H3
InChIKeyTUAYRMPVXGJABN-UHFFFAOYSA-N
XLogP3.05
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826218) is 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CCCN(CC1CC1)C1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is TUAYRMPVXGJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O/c1-2-12-28(19-21-6-7-21)23-8-15-25(16-9-23)20-24(29)27-17-10-22(11-18-27)26-13-4-3-5-14-26/h21-23H,2-20H2,1H3.
What are the key properties of 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 404.64 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).