ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate

C20H30N4O3 — CID 109215872

IUPACethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccnc(C(=O)N3CCCC(C)C3)c2)CC1
InChIInChI=1S/C20H30N4O3/c1-3-27-20(26)23-11-7-16(8-12-23)22-17-6-9-21-18(13-17)19(25)24-10-4-5-15(2)14-24/h6,9,13,15-16H,3-5,7-8,10-12,14H2,1-2H3,(H,21,22)
InChIKeyQELFNFUPRUWXEQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.99
Rot. Bonds4

About ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109215872) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109215872
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nameethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccnc(C(=O)N3CCCC(C)C3)c2)CC1
InChIInChI=1S/C20H30N4O3/c1-3-27-20(26)23-11-7-16(8-12-23)22-17-6-9-21-18(13-17)19(25)24-10-4-5-15(2)14-24/h6,9,13,15-16H,3-5,7-8,10-12,14H2,1-2H3,(H,21,22)
InChIKeyQELFNFUPRUWXEQ-UHFFFAOYSA-N
XLogP2.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218123
ethyl 4-[2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310285
ethyl 4-[4-(butan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109203480
ethyl 4-[4-(oxolan-2-ylmethylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109206953
ethyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215897
ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109202328
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218171

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate (CID 109215872) is ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccnc(C(=O)N3CCCC(C)C3)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is QELFNFUPRUWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-27-20(26)23-11-7-16(8-12-23)22-17-6-9-21-18(13-17)19(25)24-10-4-5-15(2)14-24/h6,9,13,15-16H,3-5,7-8,10-12,14H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109215872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).