N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide

C20H23N3O3 — CID 56765140

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)co1)C1CC1
InChIInChI=1S/C20H23N3O3/c24-18(16-6-7-16)22-20-21-17(13-26-20)19(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2,(H,21,22,24)
InChIKeyMVUMRLCTVRHNTM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide

N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide (PubChem CID 56765140) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
PubChem CID56765140
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)co1)C1CC1
InChIInChI=1S/C20H23N3O3/c24-18(16-6-7-16)22-20-21-17(13-26-20)19(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2,(H,21,22,24)
InChIKeyMVUMRLCTVRHNTM-UHFFFAOYSA-N
XLogP3.12
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110480
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110608
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
CID 84557885
1-[4-[2-[(4-benzylpiperidin-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46043550
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
(4-benzylpiperidin-1-yl)-[2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42855971
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide (CID 56765140) is N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)co1)C1CC1.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide?
The InChIKey is MVUMRLCTVRHNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18(16-6-7-16)22-20-21-17(13-26-20)19(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2,(H,21,22,24).
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide?
N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 56765140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).