N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide

C18H28N4O3 — CID 91915766

IUPACN-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
SMILESCc1noc([C@H]2CCN(CC3CC3)C[C@H]2NC(=O)C2CCOCC2)n1
InChIInChI=1S/C18H28N4O3/c1-12-19-18(25-21-12)15-4-7-22(10-13-2-3-13)11-16(15)20-17(23)14-5-8-24-9-6-14/h13-16H,2-11H2,1H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyLLSIFMQKDULLGQ-JKSUJKDBSA-N
MW348.45 g/mol
LogP1.49
Rot. Bonds5

About N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide

N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide (PubChem CID 91915766) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
PubChem CID91915766
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide
SMILESCc1noc([C@H]2CCN(CC3CC3)C[C@H]2NC(=O)C2CCOCC2)n1
InChIInChI=1S/C18H28N4O3/c1-12-19-18(25-21-12)15-4-7-22(10-13-2-3-13)11-16(15)20-17(23)14-5-8-24-9-6-14/h13-16H,2-11H2,1H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyLLSIFMQKDULLGQ-JKSUJKDBSA-N
XLogP1.49
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide (CID 91915766) is N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide is Cc1noc([C@H]2CCN(CC3CC3)C[C@H]2NC(=O)C2CCOCC2)n1.
What is the InChIKey of N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide?
The InChIKey is LLSIFMQKDULLGQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-19-18(25-21-12)15-4-7-22(10-13-2-3-13)11-16(15)20-17(23)14-5-8-24-9-6-14/h13-16H,2-11H2,1H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide?
N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(cyclopropylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 91915766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).