N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

C20H23N5O3 — CID 95126219

IUPACN-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@@H](c2nc(-c3cccnc3)no2)C1)NCc1ccco1
InChIInChI=1S/C20H23N5O3/c26-18(22-13-17-6-3-11-27-17)7-10-25-9-2-5-16(14-25)20-23-19(24-28-20)15-4-1-8-21-12-15/h1,3-4,6,8,11-12,16H,2,5,7,9-10,13-14H2,(H,22,26)/t16-/m1/s1
InChIKeyYFAPACVJZMBWCN-MRXNPFEDSA-N
MW381.44 g/mol
LogP2.61
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 95126219) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID95126219
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@@H](c2nc(-c3cccnc3)no2)C1)NCc1ccco1
InChIInChI=1S/C20H23N5O3/c26-18(22-13-17-6-3-11-27-17)7-10-25-9-2-5-16(14-25)20-23-19(24-28-20)15-4-1-8-21-12-15/h1,3-4,6,8,11-12,16H,2,5,7,9-10,13-14H2,(H,22,26)/t16-/m1/s1
InChIKeyYFAPACVJZMBWCN-MRXNPFEDSA-N
XLogP2.61
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46988239
(3R)-1-(furan-2-ylmethyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97203305
1-(furan-2-ylmethyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72909372
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
4-[2-oxo-2-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one
CID 95803861
N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
CID 71784003
3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanoic acid
CID 119921434
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
(1-methylindol-6-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97198977
N-(4-chlorophenyl)-3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526395

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 95126219) is N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC[C@@H](c2nc(-c3cccnc3)no2)C1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is YFAPACVJZMBWCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18(22-13-17-6-3-11-27-17)7-10-25-9-2-5-16(14-25)20-23-19(24-28-20)15-4-1-8-21-12-15/h1,3-4,6,8,11-12,16H,2,5,7,9-10,13-14H2,(H,22,26)/t16-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95126219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).