1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

C19H28N4O2 — CID 56787257

IUPAC1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3(C#N)CCCC3)CC2)oc1C
InChIInChI=1S/C19H28N4O2/c1-14-15(2)25-17(22-14)12-23-9-5-16(6-10-23)11-21-18(24)19(13-20)7-3-4-8-19/h16H,3-12H2,1-2H3,(H,21,24)
InChIKeySLAHVLZXWHUUJF-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.70
Rot. Bonds5

About 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 56787257) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID56787257
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3(C#N)CCCC3)CC2)oc1C
InChIInChI=1S/C19H28N4O2/c1-14-15(2)25-17(22-14)12-23-9-5-16(6-10-23)11-21-18(24)19(13-20)7-3-4-8-19/h16H,3-12H2,1-2H3,(H,21,24)
InChIKeySLAHVLZXWHUUJF-UHFFFAOYSA-N
XLogP2.70
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (CID 56787257) is 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is Cc1nc(CN2CCC(CNC(=O)C3(C#N)CCCC3)CC2)oc1C.
What is the InChIKey of 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is SLAHVLZXWHUUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-15(2)25-17(22-14)12-23-9-5-16(6-10-23)11-21-18(24)19(13-20)7-3-4-8-19/h16H,3-12H2,1-2H3,(H,21,24).
What are the key properties of 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56787257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).