N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C16H30N2O3 — CID 111428421

IUPACN-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCOC1CCCCCC1)N1CCC(CO)CC1
InChIInChI=1S/C16H30N2O3/c19-13-14-7-10-18(11-8-14)16(20)17-9-12-21-15-5-3-1-2-4-6-15/h14-15,19H,1-13H2,(H,17,20)
InChIKeyJIMPKMCCDDSYNC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.14
Rot. Bonds5

About N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111428421) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111428421
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCOC1CCCCCC1)N1CCC(CO)CC1
InChIInChI=1S/C16H30N2O3/c19-13-14-7-10-18(11-8-14)16(20)17-9-12-21-15-5-3-1-2-4-6-15/h14-15,19H,1-13H2,(H,17,20)
InChIKeyJIMPKMCCDDSYNC-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120067
(3S)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125882
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
CID 84601030
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
CID 111173783
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111428421) is N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCCOC1CCCCCC1)N1CCC(CO)CC1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is JIMPKMCCDDSYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c19-13-14-7-10-18(11-8-14)16(20)17-9-12-21-15-5-3-1-2-4-6-15/h14-15,19H,1-13H2,(H,17,20).
What are the key properties of N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111428421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).