N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine

C20H28N4O — CID 123986996

IUPACN-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine
SMILESCc1nnc(-c2ccc(N3CCCC(NC4CCCCC4)C3)cc2)o1
InChIInChI=1S/C20H28N4O/c1-15-22-23-20(25-15)16-9-11-19(12-10-16)24-13-5-8-18(14-24)21-17-6-3-2-4-7-17/h9-12,17-18,21H,2-8,13-14H2,1H3
InChIKeyITTACGYOOJNBQN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.94
Rot. Bonds4

About N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine

N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine (PubChem CID 123986996) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine
PubChem CID123986996
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine
SMILESCc1nnc(-c2ccc(N3CCCC(NC4CCCCC4)C3)cc2)o1
InChIInChI=1S/C20H28N4O/c1-15-22-23-20(25-15)16-9-11-19(12-10-16)24-13-5-8-18(14-24)21-17-6-3-2-4-7-17/h9-12,17-18,21H,2-8,13-14H2,1H3
InChIKeyITTACGYOOJNBQN-UHFFFAOYSA-N
XLogP3.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-(5-phenyl-1,3-oxazol-2-yl)cyclohexane-1,2-diamine
CID 123347790
trans-(1R,2R)-2-N-(4-isoquinolin-4-yl-2-pyridinyl)-1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233313
1-N-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-yl]-2-N-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclohexane-1,2-diamine
CID 78043428
N-cyclohexyl-1-thiophen-3-ylpiperidin-3-amine
CID 83999299
[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 57463709
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 124648090
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
(3S)-N-cyclohexyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxamide
CID 51137817
N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
CID 25339430
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine?
The IUPAC name of N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine (CID 123986996) is N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine.
What is the SMILES notation for N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine?
The canonical SMILES for N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine is Cc1nnc(-c2ccc(N3CCCC(NC4CCCCC4)C3)cc2)o1.
What is the InChIKey of N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine?
The InChIKey is ITTACGYOOJNBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-22-23-20(25-15)16-9-11-19(12-10-16)24-13-5-8-18(14-24)21-17-6-3-2-4-7-17/h9-12,17-18,21H,2-8,13-14H2,1H3.
What are the key properties of N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine?
N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine has a molecular weight of 340.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperidin-3-amine is sourced from PubChem (CID 123986996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).