ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate

C16H26N4O2 — CID 154752830

IUPACethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(CN(C)C)ccn2)CC1
InChIInChI=1S/C16H26N4O2/c1-4-22-16(21)20-9-6-14(7-10-20)18-15-11-13(5-8-17-15)12-19(2)3/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H,17,18)
InChIKeyATNYSSWCNLKZGH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.18
Rot. Bonds5

About ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 154752830) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID154752830
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nameethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(CN(C)C)ccn2)CC1
InChIInChI=1S/C16H26N4O2/c1-4-22-16(21)20-9-6-14(7-10-20)18-15-11-13(5-8-17-15)12-19(2)3/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H,17,18)
InChIKeyATNYSSWCNLKZGH-UHFFFAOYSA-N
XLogP2.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 80772893
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112888116
ethyl 4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 112884037
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate (CID 154752830) is ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(CN(C)C)ccn2)CC1.
What is the InChIKey of ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is ATNYSSWCNLKZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-22-16(21)20-9-6-14(7-10-20)18-15-11-13(5-8-17-15)12-19(2)3/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 154752830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).