(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate

C24H30ClN3O4 — CID 137372714

IUPAC(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCOc1ncccc1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O4/c1-16(2)15-20(27-22(29)18-6-8-19(25)9-7-18)17-10-13-28(14-11-17)24(30)32-21-5-4-12-26-23(21)31-3/h4-9,12,16-17,20H,10-11,13-15H2,1-3H3,(H,27,29)
InChIKeyRYCPSOHUQDFCEM-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.80
Rot. Bonds7

About (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate

(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate (PubChem CID 137372714) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
PubChem CID137372714
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
SMILESCOc1ncccc1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O4/c1-16(2)15-20(27-22(29)18-6-8-19(25)9-7-18)17-10-13-28(14-11-17)24(30)32-21-5-4-12-26-23(21)31-3/h4-9,12,16-17,20H,10-11,13-15H2,1-3H3,(H,27,29)
InChIKeyRYCPSOHUQDFCEM-UHFFFAOYSA-N
XLogP4.80
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The IUPAC name of (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate (CID 137372714) is (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate.
What is the SMILES notation for (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The canonical SMILES for (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate is COc1ncccc1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
The InChIKey is RYCPSOHUQDFCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c1-16(2)15-20(27-22(29)18-6-8-19(25)9-7-18)17-10-13-28(14-11-17)24(30)32-21-5-4-12-26-23(21)31-3/h4-9,12,16-17,20H,10-11,13-15H2,1-3H3,(H,27,29).
What are the key properties of (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate?
(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate has a molecular weight of 459.97 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate is sourced from PubChem (CID 137372714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).