1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide

C19H31N5O4 — CID 162633468

IUPAC1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[C@H]1Nc1nnc(C)o1
InChIInChI=1S/C19H31N5O4/c1-3-10-27-16-5-4-14(11-15(16)21-19-23-22-12(2)28-19)18(26)24-8-6-13(7-9-24)17(20)25/h13-16H,3-11H2,1-2H3,(H2,20,25)(H,21,23)/t14-,15+,16+/m0/s1
InChIKeyFKYUQXMSPFFHJX-ARFHVFGLSA-N
MW393.49 g/mol
LogP1.48
Rot. Bonds7

About 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide

1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide (PubChem CID 162633468) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide
PubChem CID162633468
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[C@H]1Nc1nnc(C)o1
InChIInChI=1S/C19H31N5O4/c1-3-10-27-16-5-4-14(11-15(16)21-19-23-22-12(2)28-19)18(26)24-8-6-13(7-9-24)17(20)25/h13-16H,3-11H2,1-2H3,(H2,20,25)(H,21,23)/t14-,15+,16+/m0/s1
InChIKeyFKYUQXMSPFFHJX-ARFHVFGLSA-N
XLogP1.48
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide
CID 155918781
1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
CID 155914685
propyl 4-[4-(4-carbamoylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 42654543
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 155508194
[(1S,3R,4R)-3-propoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 163313638
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
CID 155917918
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 155915876
[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170505005
(1S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-N-[(3-methyl-4-pyridinyl)methyl]-4-propoxycyclohexane-1-carboxamide
CID 157012705
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502315

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide (CID 162633468) is 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide is CCCO[C@@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[C@H]1Nc1nnc(C)o1.
What is the InChIKey of 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide?
The InChIKey is FKYUQXMSPFFHJX-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-3-10-27-16-5-4-14(11-15(16)21-19-23-22-12(2)28-19)18(26)24-8-6-13(7-9-24)17(20)25/h13-16H,3-11H2,1-2H3,(H2,20,25)(H,21,23)/t14-,15+,16+/m0/s1.
What are the key properties of 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide?
1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 162633468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).