N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide

C19H31N3O — CID 95124833

IUPACN-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2=CCCN([C@@H]3C=CCCC3)C2)CC1
InChIInChI=1S/C19H31N3O/c1-16(23)20-18-9-12-21(13-10-18)14-17-6-5-11-22(15-17)19-7-3-2-4-8-19/h3,6-7,18-19H,2,4-5,8-15H2,1H3,(H,20,23)/t19-/m1/s1
InChIKeyURXOSSAYPFNGHO-LJQANCHMSA-N
MW317.48 g/mol
LogP2.33
Rot. Bonds4

About N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 95124833) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID95124833
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2=CCCN([C@@H]3C=CCCC3)C2)CC1
InChIInChI=1S/C19H31N3O/c1-16(23)20-18-9-12-21(13-10-18)14-17-6-5-11-22(15-17)19-7-3-2-4-8-19/h3,6-7,18-19H,2,4-5,8-15H2,1H3,(H,20,23)/t19-/m1/s1
InChIKeyURXOSSAYPFNGHO-LJQANCHMSA-N
XLogP2.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide (CID 95124833) is N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2=CCCN([C@@H]3C=CCCC3)C2)CC1.
What is the InChIKey of N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is URXOSSAYPFNGHO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(23)20-18-9-12-21(13-10-18)14-17-6-5-11-22(15-17)19-7-3-2-4-8-19/h3,6-7,18-19H,2,4-5,8-15H2,1H3,(H,20,23)/t19-/m1/s1.
What are the key properties of N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 95124833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).