ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate

C24H31N5O3 — CID 44573250

IUPACethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)CC1
InChIInChI=1S/C24H31N5O3/c1-2-32-23(31)29-16-14-28(15-17-29)22(30)24(19-6-4-3-5-7-19)9-12-27(13-10-24)21-18-20(25)8-11-26-21/h3-8,11,18H,2,9-10,12-17H2,1H3,(H2,25,26)
InChIKeyRGSYANNBEVLWOT-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.50
Rot. Bonds4

About ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 44573250) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID44573250
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Nameethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)CC1
InChIInChI=1S/C24H31N5O3/c1-2-32-23(31)29-16-14-28(15-17-29)22(30)24(19-6-4-3-5-7-19)9-12-27(13-10-24)21-18-20(25)8-11-26-21/h3-8,11,18H,2,9-10,12-17H2,1H3,(H2,25,26)
InChIKeyRGSYANNBEVLWOT-UHFFFAOYSA-N
XLogP2.50
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 159479353
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 4-[(4-amino-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 107877724
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119
ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109170069
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
CID 39891735
ethyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109172337
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate (CID 44573250) is ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is RGSYANNBEVLWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-2-32-23(31)29-16-14-28(15-17-29)22(30)24(19-6-4-3-5-7-19)9-12-27(13-10-24)21-18-20(25)8-11-26-21/h3-8,11,18H,2,9-10,12-17H2,1H3,(H2,25,26).
What are the key properties of ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-amino-2-pyridinyl)-4-phenylpiperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 44573250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).