N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C19H33N5O2 — CID 56743904

IUPACN-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3nc[nH]c3C)CC2)C1
InChIInChI=1S/C19H33N5O2/c1-15-18(22-14-21-15)13-23-9-5-17(6-10-23)24-8-3-4-16(12-24)19(25)20-7-11-26-2/h14,16-17H,3-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyNCTKOLIKRSYTQS-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.16
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56743904) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56743904
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3nc[nH]c3C)CC2)C1
InChIInChI=1S/C19H33N5O2/c1-15-18(22-14-21-15)13-23-9-5-17(6-10-23)24-8-3-4-16(12-24)19(25)20-7-11-26-2/h14,16-17H,3-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyNCTKOLIKRSYTQS-UHFFFAOYSA-N
XLogP1.16
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56743904) is N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(Cc3nc[nH]c3C)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is NCTKOLIKRSYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-15-18(22-14-21-15)13-23-9-5-17(6-10-23)24-8-3-4-16(12-24)19(25)20-7-11-26-2/h14,16-17H,3-13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56743904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).