N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide

C14H29N3O2 — CID 103810737

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)C(CCO)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O2/c1-11(2)12(5-10-18)16-13(19)14(3,4)17-8-6-15-7-9-17/h11-12,15,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyKCDRSZCZFGTTLV-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.19
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 103810737) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID103810737
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)C(CCO)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H29N3O2/c1-11(2)12(5-10-18)16-13(19)14(3,4)17-8-6-15-7-9-17/h11-12,15,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyKCDRSZCZFGTTLV-UHFFFAOYSA-N
XLogP0.19
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551216
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548456
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547961
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-1-carboxamide
CID 103713703

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide (CID 103810737) is N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)C(CCO)NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is KCDRSZCZFGTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)12(5-10-18)16-13(19)14(3,4)17-8-6-15-7-9-17/h11-12,15,18H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 103810737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).