N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide

C15H23N3O2 — CID 79160192

IUPACN-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(OCCN)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-12-6-9-18(10-7-12)15(19)17-13-2-4-14(5-3-13)20-11-8-16/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeyKLIPBXMIUCOLEQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.29
Rot. Bonds4

About N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide

N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 79160192) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
PubChem CID79160192
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(OCCN)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-12-6-9-18(10-7-12)15(19)17-13-2-4-14(5-3-13)20-11-8-16/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeyKLIPBXMIUCOLEQ-UHFFFAOYSA-N
XLogP2.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N'-(3-aminopropyl)-N-(4-decoxyphenyl)-4-methylpiperidine-1-carboximidamide
CID 69003604
2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836469
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55820039
1-[[4-(3-amino-3-oxopropoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102372
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79158405
2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54825440

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide (CID 79160192) is N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(OCCN)cc2)CC1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is KLIPBXMIUCOLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-6-9-18(10-7-12)15(19)17-13-2-4-14(5-3-13)20-11-8-16/h2-5,12H,6-11,16H2,1H3,(H,17,19).
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide?
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).