N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide

C18H29N3O2 — CID 131922320

IUPACN-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
SMILESCCC(C)(CCNC(=O)N1CCNCC1)c1ccccc1OC
InChIInChI=1S/C18H29N3O2/c1-4-18(2,15-7-5-6-8-16(15)23-3)9-10-20-17(22)21-13-11-19-12-14-21/h5-8,19H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyMTWVFKZNDWAMDZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.37
Rot. Bonds6

About N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide

N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide (PubChem CID 131922320) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
PubChem CID131922320
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
SMILESCCC(C)(CCNC(=O)N1CCNCC1)c1ccccc1OC
InChIInChI=1S/C18H29N3O2/c1-4-18(2,15-7-5-6-8-16(15)23-3)9-10-20-17(22)21-13-11-19-12-14-21/h5-8,19H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyMTWVFKZNDWAMDZ-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 125447015
4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide
CID 125447036
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide
CID 74233002
N-[3-(2-methoxyphenyl)-3-methylpentyl]-1,5-dimethylpyrazole-3-carboxamide
CID 122559638
2-(2-methoxyphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82297558
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-[3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 122560790
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 125438960

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide (CID 131922320) is N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide is CCC(C)(CCNC(=O)N1CCNCC1)c1ccccc1OC.
What is the InChIKey of N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide?
The InChIKey is MTWVFKZNDWAMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-18(2,15-7-5-6-8-16(15)23-3)9-10-20-17(22)21-13-11-19-12-14-21/h5-8,19H,4,9-14H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide?
N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide is sourced from PubChem (CID 131922320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).