N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide

C19H33N5O2 — CID 46992512

IUPACN-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1
InChIInChI=1S/C19H33N5O2/c1-13(2)10-16-12-24(22-21-16)17-6-8-23(9-7-17)19(26)18(11-14(3)4)20-15(5)25/h12-14,17-18H,6-11H2,1-5H3,(H,20,25)/t18-/m0/s1
InChIKeyGMQVTENKAZNREP-SFHVURJKSA-N
MW363.51 g/mol
LogP2.19
Rot. Bonds7

About N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide

N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide (PubChem CID 46992512) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide
PubChem CID46992512
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1
InChIInChI=1S/C19H33N5O2/c1-13(2)10-16-12-24(22-21-16)17-6-8-23(9-7-17)19(26)18(11-14(3)4)20-15(5)25/h12-14,17-18H,6-11H2,1-5H3,(H,20,25)/t18-/m0/s1
InChIKeyGMQVTENKAZNREP-SFHVURJKSA-N
XLogP2.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Yu-mono-GK
CID 16066541
CD-Mono-LK
CID 16066590
EK-Mono-IR-DP
CID 24978561
EK-Mono-GK-DP
CID 24978574
Boc-KI
CID 24978597
2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide
CID 24983080
EK-Mono-IK
CID 24983083
AS-Mono-VS-DP
CID 25162993
CD-Mono-LI
CID 16066502
YU-Mono-GK-DP
CID 16129555
CD-Mono-LK-DP
CID 16129560
Boc-KG
CID 24983077

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide (CID 46992512) is N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1.
What is the InChIKey of N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide?
The InChIKey is GMQVTENKAZNREP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-13(2)10-16-12-24(22-21-16)17-6-8-23(9-7-17)19(26)18(11-14(3)4)20-15(5)25/h12-14,17-18H,6-11H2,1-5H3,(H,20,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide?
N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide has a molecular weight of 363.51 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 46992512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).