[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone

C20H25N3O3 — CID 109204409

IUPAC[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CNc2ccnc(C(=O)N3CCCCC3)c2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-18-7-6-15(12-19(18)26-2)14-22-16-8-9-21-17(13-16)20(24)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,21,22)
InChIKeyNICDHDNBKSATTN-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.34
Rot. Bonds6

About [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone

[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204409) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204409
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CNc2ccnc(C(=O)N3CCCCC3)c2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-18-7-6-15(12-19(18)26-2)14-22-16-8-9-21-17(13-16)20(24)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,21,22)
InChIKeyNICDHDNBKSATTN-UHFFFAOYSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208435
azepan-1-yl-[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331752
[2-[(3,4-dimethoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322480
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204409) is [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone is COc1ccc(CNc2ccnc(C(=O)N3CCCCC3)c2)cc1OC.
What is the InChIKey of [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is NICDHDNBKSATTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-18-7-6-15(12-19(18)26-2)14-22-16-8-9-21-17(13-16)20(24)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,21,22).
What are the key properties of [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone?
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).