N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

C21H34N4O2 — CID 126431258

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCN1CCC[C@@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1
InChIInChI=1S/C21H34N4O2/c1-3-23-10-6-7-18(16-23)15-22-21(26)25-13-11-24(12-14-25)17-19-8-4-5-9-20(19)27-2/h4-5,8-9,18H,3,6-7,10-17H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeyCTHAZJADPZMOCO-SFHVURJKSA-N
MW374.53 g/mol
LogP2.25
Rot. Bonds6

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 126431258) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID126431258
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCN1CCC[C@@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1
InChIInChI=1S/C21H34N4O2/c1-3-23-10-6-7-18(16-23)15-22-21(26)25-13-11-24(12-14-25)17-19-8-4-5-9-20(19)27-2/h4-5,8-9,18H,3,6-7,10-17H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKeyCTHAZJADPZMOCO-SFHVURJKSA-N
XLogP2.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 122564788
N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
CID 51104070
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 126431258) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is CCN1CCC[C@@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is CTHAZJADPZMOCO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-23-10-6-7-18(16-23)15-22-21(26)25-13-11-24(12-14-25)17-19-8-4-5-9-20(19)27-2/h4-5,8-9,18H,3,6-7,10-17H2,1-2H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126431258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).