N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide

C19H28N2O2 — CID 97188264

IUPACN-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESCOCC1(NC(=O)c2cccc([C@@H]3CCCNC3)c2)CCCC1
InChIInChI=1S/C19H28N2O2/c1-23-14-19(9-2-3-10-19)21-18(22)16-7-4-6-15(12-16)17-8-5-11-20-13-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyMYHPVJJNYSRZNA-QGZVFWFLSA-N
MW316.44 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide

N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide (PubChem CID 97188264) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
PubChem CID97188264
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESCOCC1(NC(=O)c2cccc([C@@H]3CCCNC3)c2)CCCC1
InChIInChI=1S/C19H28N2O2/c1-23-14-19(9-2-3-10-19)21-18(22)16-7-4-6-15(12-16)17-8-5-11-20-13-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyMYHPVJJNYSRZNA-QGZVFWFLSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116450
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
CID 117116652
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77097142
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
methyl 2-(3-piperidin-3-ylphenyl)butanoate
CID 116988779
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide (CID 97188264) is N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide is COCC1(NC(=O)c2cccc([C@@H]3CCCNC3)c2)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is MYHPVJJNYSRZNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-14-19(9-2-3-10-19)21-18(22)16-7-4-6-15(12-16)17-8-5-11-20-13-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide?
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97188264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).