ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

C20H32N4O3 — CID 109215838

IUPACethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)c1ccnc(C(=O)NC2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C20H32N4O3/c1-4-11-23(12-5-2)17-7-10-21-18(15-17)19(25)22-16-8-13-24(14-9-16)20(26)27-6-3/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,22,25)
InChIKeyBCCNBCKBOCWKFJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.06
Rot. Bonds8

About ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109215838) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109215838
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Nameethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)c1ccnc(C(=O)NC2CCN(C(=O)OCC)CC2)c1
InChIInChI=1S/C20H32N4O3/c1-4-11-23(12-5-2)17-7-10-21-18(15-17)19(25)22-16-8-13-24(14-9-16)20(26)27-6-3/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,22,25)
InChIKeyBCCNBCKBOCWKFJ-UHFFFAOYSA-N
XLogP3.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215860
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
ethyl 4-[[4-(4-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215853
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109339864
ethyl 4-[[2-(3,5-dimethylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109310205

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109215838) is ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is CCCN(CCC)c1ccnc(C(=O)NC2CCN(C(=O)OCC)CC2)c1.
What is the InChIKey of ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BCCNBCKBOCWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-11-23(12-5-2)17-7-10-21-18(15-17)19(25)22-16-8-13-24(14-9-16)20(26)27-6-3/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109215838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).