3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide

C22H33N3O2 — CID 26318438

IUPAC3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESO=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H33N3O2/c26-21(13-17-25-15-6-2-5-11-22(25)27)23-20-10-7-14-24(18-20)16-12-19-8-3-1-4-9-19/h1,3-4,8-9,20H,2,5-7,10-18H2,(H,23,26)/t20-/m1/s1
InChIKeyCAYAAKWRSIFZFR-HXUWFJFHSA-N
MW371.53 g/mol
LogP2.60
Rot. Bonds7

About 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide

3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide (PubChem CID 26318438) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
PubChem CID26318438
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESO=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H33N3O2/c26-21(13-17-25-15-6-2-5-11-22(25)27)23-20-10-7-14-24(18-20)16-12-19-8-3-1-4-9-19/h1,3-4,8-9,20H,2,5-7,10-18H2,(H,23,26)/t20-/m1/s1
InChIKeyCAYAAKWRSIFZFR-HXUWFJFHSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide (CID 26318438) is 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide is O=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide?
The InChIKey is CAYAAKWRSIFZFR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21(13-17-25-15-6-2-5-11-22(25)27)23-20-10-7-14-24(18-20)16-12-19-8-3-1-4-9-19/h1,3-4,8-9,20H,2,5-7,10-18H2,(H,23,26)/t20-/m1/s1.
What are the key properties of 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide?
3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide has a molecular weight of 371.53 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 26318438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).