[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone

C22H29N3O2 — CID 48501123

IUPAC[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17(2)24(3)16-18-10-13-25(14-11-18)22(26)19-6-8-20(9-7-19)27-21-5-4-12-23-15-21/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3
InChIKeyIRRHZCBQVMRVQK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.07
Rot. Bonds6

About [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone

[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone (PubChem CID 48501123) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
PubChem CID48501123
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17(2)24(3)16-18-10-13-25(14-11-18)22(26)19-6-8-20(9-7-19)27-21-5-4-12-23-15-21/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3
InChIKeyIRRHZCBQVMRVQK-UHFFFAOYSA-N
XLogP4.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
The IUPAC name of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone (CID 48501123) is [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone.
What is the SMILES notation for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
The canonical SMILES for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone is CC(C)N(C)CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1.
What is the InChIKey of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
The InChIKey is IRRHZCBQVMRVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(2)24(3)16-18-10-13-25(14-11-18)22(26)19-6-8-20(9-7-19)27-21-5-4-12-23-15-21/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3.
What are the key properties of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone has a molecular weight of 367.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone is sourced from PubChem (CID 48501123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).