(1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate

C19H28N4O2 — CID 89487896

IUPAC(1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccncc2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H28N4O2/c24-19(23-14-12-22(13-15-23)16-2-1-3-16)25-18-6-10-21(11-7-18)17-4-8-20-9-5-17/h4-5,8-9,16,18H,1-3,6-7,10-15H2
InChIKeyCIHWCEXJPAIFSO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.36
Rot. Bonds3

About (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate

(1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487896) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487896
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccncc2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H28N4O2/c24-19(23-14-12-22(13-15-23)16-2-1-3-16)25-18-6-10-21(11-7-18)17-4-8-20-9-5-17/h4-5,8-9,16,18H,1-3,6-7,10-15H2
InChIKeyCIHWCEXJPAIFSO-UHFFFAOYSA-N
XLogP2.36
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487613
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
Methyl 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234622
Ethyl 4-(2-pyridylmethyl)piperazinecarboxylate
CID 653131
(1-Pyridin-2-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487574
(1-Pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487863
Methyl 9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3235228
Propanamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-4-pyridinyl-
CID 3041459
Methyl 4-(3-aminopyridin-4-yl)piperazine-1-carboxylate
CID 43462446
tert-Butyl 4-(3-aminopyridin-4-yl)piperazine-1-carboxylate
CID 43462405
1,1-Dimethylethyl 4-(4-amino-3-pyridinyl)-1-piperazinecarboxylate
CID 82184571
ethyl N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbamate
CID 118727059

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate (CID 89487896) is (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate is O=C(OC1CCN(c2ccncc2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is CIHWCEXJPAIFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-19(23-14-12-22(13-15-23)16-2-1-3-16)25-18-6-10-21(11-7-18)17-4-8-20-9-5-17/h4-5,8-9,16,18H,1-3,6-7,10-15H2.
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
(1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).