N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C23H35N3O2 — CID 24792149

IUPACN-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CN1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-2-28-22-6-4-3-5-19(22)17-25-13-11-21(12-14-25)26-15-9-18(10-16-26)23(27)24-20-7-8-20/h3-6,18,20-21H,2,7-17H2,1H3,(H,24,27)
InChIKeyLYRIHPKJGGBAIJ-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.04
Rot. Bonds7

About N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 24792149) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID24792149
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CN1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-2-28-22-6-4-3-5-19(22)17-25-13-11-21(12-14-25)26-15-9-18(10-16-26)23(27)24-20-7-8-20/h3-6,18,20-21H,2,7-17H2,1H3,(H,24,27)
InChIKeyLYRIHPKJGGBAIJ-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 24792149) is N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is CCOc1ccccc1CN1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is LYRIHPKJGGBAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-28-22-6-4-3-5-19(22)17-25-13-11-21(12-14-25)26-15-9-18(10-16-26)23(27)24-20-7-8-20/h3-6,18,20-21H,2,7-17H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24792149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).