N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide

C22H34N2O3 — CID 133246116

IUPACN-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCCN3CC(C)CC(C)C3)cc2)CCCC1
InChIInChI=1S/C22H34N2O3/c1-17-14-18(2)16-24(15-17)12-13-27-20-8-6-19(7-9-20)23-21(25)22(26-3)10-4-5-11-22/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,23,25)
InChIKeyNYKUOIMXMUDPAB-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide

N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide (PubChem CID 133246116) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
PubChem CID133246116
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCCN3CC(C)CC(C)C3)cc2)CCCC1
InChIInChI=1S/C22H34N2O3/c1-17-14-18(2)16-24(15-17)12-13-27-20-8-6-19(7-9-20)23-21(25)22(26-3)10-4-5-11-22/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,23,25)
InChIKeyNYKUOIMXMUDPAB-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133188335
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668537
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
N-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673240
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730573
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide?
The IUPAC name of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide (CID 133246116) is N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide is COC1(C(=O)Nc2ccc(OCCN3CC(C)CC(C)C3)cc2)CCCC1.
What is the InChIKey of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide?
The InChIKey is NYKUOIMXMUDPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-17-14-18(2)16-24(15-17)12-13-27-20-8-6-19(7-9-20)23-21(25)22(26-3)10-4-5-11-22/h6-9,17-18H,4-5,10-16H2,1-3H3,(H,23,25).
What are the key properties of N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide?
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-methoxycyclopentane-1-carboxamide is sourced from PubChem (CID 133246116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).