methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate

C23H29N3O3 — CID 14879897

IUPACmethyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccncc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-21(27)26(20-7-5-4-6-8-20)23(22(28)29-2)12-17-25(18-13-23)16-11-19-9-14-24-15-10-19/h4-10,14-15H,3,11-13,16-18H2,1-2H3
InChIKeyBHYPRXVRVQAVEK-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.07
Rot. Bonds7

About methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate

methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate (PubChem CID 14879897) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate
PubChem CID14879897
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namemethyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccncc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-21(27)26(20-7-5-4-6-8-20)23(22(28)29-2)12-17-25(18-13-23)16-11-19-9-14-24-15-10-19/h4-10,14-15H,3,11-13,16-18H2,1-2H3
InChIKeyBHYPRXVRVQAVEK-UHFFFAOYSA-N
XLogP3.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methoxyethyl)-N'-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017352
Ethyl {[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]carbamoyl}formate
CID 16017383
methyl 4-(N-propanoylanilino)-1-(2-pyrrol-1-ylethyl)piperidine-4-carboxylate
CID 14879858
N-[4-(methoxymethyl)-1-(2-pyrrol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879859
N-[4-(methoxymethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 20382353
methyl 4-(N-propanoylanilino)-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 14879894
methyl 4-(N-propanoylanilino)-1-(2-pyridin-3-ylethyl)piperidine-4-carboxylate
CID 14879895
N-[4-(methoxymethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879896
Methyl 4-[sec-butyl(pyridin-4-ylmethyl)amino]-4-oxobutanoate
CID 50984181
3-[Ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one
CID 71999706
9-(2-Methoxyacetyl)-1-methyl-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373364
(5aR,9aR)-4-phenyl-8-(pyridin-4-ylmethyl)-3,5a,6,7,9,9a-hexahydro-2H-pyrido[4,3-f][1,4]oxazepin-5-one
CID 97419342

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate (CID 14879897) is methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccncc2)CC1.
What is the InChIKey of methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate?
The InChIKey is BHYPRXVRVQAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-21(27)26(20-7-5-4-6-8-20)23(22(28)29-2)12-17-25(18-13-23)16-11-19-9-14-24-15-10-19/h4-10,14-15H,3,11-13,16-18H2,1-2H3.
What are the key properties of methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate?
methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-propanoylanilino)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 14879897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).