1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide

C18H25N3O2 — CID 121153798

IUPAC1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCc3ccccc3)C2)CC1
InChIInChI=1S/C18H25N3O2/c19-18(23)15-8-10-20(11-9-15)16-12-21(13-16)17(22)7-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H2,19,23)
InChIKeyYFAJDHWKVKVNHF-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.03
Rot. Bonds5

About 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153798) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153798
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCc3ccccc3)C2)CC1
InChIInChI=1S/C18H25N3O2/c19-18(23)15-8-10-20(11-9-15)16-12-21(13-16)17(22)7-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H2,19,23)
InChIKeyYFAJDHWKVKVNHF-UHFFFAOYSA-N
XLogP1.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153923
1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153914
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
1-[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153974
1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121153798) is 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)CCc3ccccc3)C2)CC1.
What is the InChIKey of 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is YFAJDHWKVKVNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-18(23)15-8-10-20(11-9-15)16-12-21(13-16)17(22)7-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H2,19,23).
What are the key properties of 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).