N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide

C17H26N2O2 — CID 95123718

IUPACN-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
SMILESCCCO[C@H]1CCCN(Cc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-17-5-4-10-19(13-17)12-15-6-8-16(9-7-15)18-14(2)20/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyINWVMTAMIHFZOJ-KRWDZBQOSA-N
MW290.41 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 95123718) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
PubChem CID95123718
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
SMILESCCCO[C@H]1CCCN(Cc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-17-5-4-10-19(13-17)12-15-6-8-16(9-7-15)18-14(2)20/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyINWVMTAMIHFZOJ-KRWDZBQOSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 97443914
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578962
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide (CID 95123718) is N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide is CCCO[C@H]1CCCN(Cc2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is INWVMTAMIHFZOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-21-17-5-4-10-19(13-17)12-15-6-8-16(9-7-15)18-14(2)20/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,20)/t17-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 95123718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).