1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one

C20H30ClN3O — CID 131896893

IUPAC1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(NC2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H30ClN3O/c1-15(2)20(25)24-11-5-6-17(14-24)22-16-9-12-23(13-10-16)19-8-4-3-7-18(19)21/h3-4,7-8,15-17,22H,5-6,9-14H2,1-2H3
InChIKeyBPNZMQCQXVVRFY-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.55
Rot. Bonds4

About 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 131896893) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID131896893
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(NC2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H30ClN3O/c1-15(2)20(25)24-11-5-6-17(14-24)22-16-9-12-23(13-10-16)19-8-4-3-7-18(19)21/h3-4,7-8,15-17,22H,5-6,9-14H2,1-2H3
InChIKeyBPNZMQCQXVVRFY-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one (CID 131896893) is 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(NC2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BPNZMQCQXVVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-15(2)20(25)24-11-5-6-17(14-24)22-16-9-12-23(13-10-16)19-8-4-3-7-18(19)21/h3-4,7-8,15-17,22H,5-6,9-14H2,1-2H3.
What are the key properties of 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 363.93 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 131896893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).