(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide

C28H44N4O3 — CID 59869064

IUPAC(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
SMILESCCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C1CCCCC1
InChIInChI=1S/C28H44N4O3/c1-4-35-18-25(20-8-6-5-7-9-20)31-27(33)22-14-23(16-29-15-22)28(34)32(24-11-12-24)26-13-10-21(17-30-26)19(2)3/h10,13,17,19-20,22-25,29H,4-9,11-12,14-16,18H2,1-3H3,(H,31,33)/t22-,23+,25+/m0/s1
InChIKeySWFYKVKQBJAYSH-JBRSBNLGSA-N
MW484.69 g/mol
LogP4.03
Rot. Bonds10

About (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide

(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide (PubChem CID 59869064) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
PubChem CID59869064
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC Name(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
SMILESCCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C1CCCCC1
InChIInChI=1S/C28H44N4O3/c1-4-35-18-25(20-8-6-5-7-9-20)31-27(33)22-14-23(16-29-15-22)28(34)32(24-11-12-24)26-13-10-21(17-30-26)19(2)3/h10,13,17,19-20,22-25,29H,4-9,11-12,14-16,18H2,1-3H3,(H,31,33)/t22-,23+,25+/m0/s1
InChIKeySWFYKVKQBJAYSH-JBRSBNLGSA-N
XLogP4.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide (CID 59869064) is (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide is CCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C1CCCCC1.
What is the InChIKey of (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
The InChIKey is SWFYKVKQBJAYSH-JBRSBNLGSA-N. The full InChI is InChI=1S/C28H44N4O3/c1-4-35-18-25(20-8-6-5-7-9-20)31-27(33)22-14-23(16-29-15-22)28(34)32(24-11-12-24)26-13-10-21(17-30-26)19(2)3/h10,13,17,19-20,22-25,29H,4-9,11-12,14-16,18H2,1-3H3,(H,31,33)/t22-,23+,25+/m0/s1.
What are the key properties of (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide?
(3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide has a molecular weight of 484.69 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-N-[(1S)-1-cyclohexyl-2-ethoxyethyl]-5-N-cyclopropyl-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 59869064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).