N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine

C18H26N4O — CID 97206560

IUPACN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@H](c2ccccc2)N2CCCCC2)o1
InChIInChI=1S/C18H26N4O/c1-2-9-17-20-21-18(23-17)19-14-16(15-10-5-3-6-11-15)22-12-7-4-8-13-22/h3,5-6,10-11,16H,2,4,7-9,12-14H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyCGNVLZZZFDLRQP-MRXNPFEDSA-N
MW314.43 g/mol
LogP3.66
Rot. Bonds7

About N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 97206560) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID97206560
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@H](c2ccccc2)N2CCCCC2)o1
InChIInChI=1S/C18H26N4O/c1-2-9-17-20-21-18(23-17)19-14-16(15-10-5-3-6-11-15)22-12-7-4-8-13-22/h3,5-6,10-11,16H,2,4,7-9,12-14H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyCGNVLZZZFDLRQP-MRXNPFEDSA-N
XLogP3.66
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
CID 72841489
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 137345383
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97209978
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55686853
5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964891
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506339
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 97206560) is N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC[C@H](c2ccccc2)N2CCCCC2)o1.
What is the InChIKey of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CGNVLZZZFDLRQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-9-17-20-21-18(23-17)19-14-16(15-10-5-3-6-11-15)22-12-7-4-8-13-22/h3,5-6,10-11,16H,2,4,7-9,12-14H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 314.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97206560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).