N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide

C14H24N4O2 — CID 138006314

IUPACN-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCCN1C(=O)CCCC1(C)N=N1
InChIInChI=1S/C14H24N4O2/c1-11(19)15-10-12-6-3-4-9-18(12)13(20)7-5-8-14(2)16-17-14/h12H,3-10H2,1-2H3,(H,15,19)
InChIKeyLXDJPWMOPBVDPA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.86
Rot. Bonds6

About N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide

N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide (PubChem CID 138006314) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide
PubChem CID138006314
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCCN1C(=O)CCCC1(C)N=N1
InChIInChI=1S/C14H24N4O2/c1-11(19)15-10-12-6-3-4-9-18(12)13(20)7-5-8-14(2)16-17-14/h12H,3-10H2,1-2H3,(H,15,19)
InChIKeyLXDJPWMOPBVDPA-UHFFFAOYSA-N
XLogP1.86
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide (CID 138006314) is N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide is CC(=O)NCC1CCCCN1C(=O)CCCC1(C)N=N1.
What is the InChIKey of N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide?
The InChIKey is LXDJPWMOPBVDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(19)15-10-12-6-3-4-9-18(12)13(20)7-5-8-14(2)16-17-14/h12H,3-10H2,1-2H3,(H,15,19).
What are the key properties of N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide?
N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 138006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).