N-(piperidin-2-ylmethyl)-3-propoxybenzamide

C16H24N2O2 — CID 62919504

IUPACN-(piperidin-2-ylmethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC2CCCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-15-8-5-6-13(11-15)16(19)18-12-14-7-3-4-9-17-14/h5-6,8,11,14,17H,2-4,7,9-10,12H2,1H3,(H,18,19)
InChIKeyASWYMKLKQWKLPG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds6

About N-(piperidin-2-ylmethyl)-3-propoxybenzamide

N-(piperidin-2-ylmethyl)-3-propoxybenzamide (PubChem CID 62919504) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-3-propoxybenzamide
PubChem CID62919504
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(piperidin-2-ylmethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC2CCCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-15-8-5-6-13(11-15)16(19)18-12-14-7-3-4-9-17-14/h5-6,8,11,14,17H,2-4,7,9-10,12H2,1H3,(H,18,19)
InChIKeyASWYMKLKQWKLPG-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
N-cyclohexyl-3-propoxybenzamide
CID 4960053
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide
CID 95973529
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
CID 141311603
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-3-propoxybenzamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-3-propoxybenzamide (CID 62919504) is N-(piperidin-2-ylmethyl)-3-propoxybenzamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-3-propoxybenzamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC2CCCCN2)c1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-3-propoxybenzamide?
The InChIKey is ASWYMKLKQWKLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-20-15-8-5-6-13(11-15)16(19)18-12-14-7-3-4-9-17-14/h5-6,8,11,14,17H,2-4,7,9-10,12H2,1H3,(H,18,19).
What are the key properties of N-(piperidin-2-ylmethyl)-3-propoxybenzamide?
N-(piperidin-2-ylmethyl)-3-propoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-3-propoxybenzamide is sourced from PubChem (CID 62919504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).