N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide

C17H33N3O2 — CID 111538987

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(C(C)(C)C(=O)NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-16(2,20-12-10-19(3)11-13-20)15(21)18-14-17(22)8-6-4-5-7-9-17/h22H,4-14H2,1-3H3,(H,18,21)
InChIKeyFWVQIKUHRIWFRX-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.21
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide

N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 111538987) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID111538987
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(C(C)(C)C(=O)NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-16(2,20-12-10-19(3)11-13-20)15(21)18-14-17(22)8-6-4-5-7-9-17/h22H,4-14H2,1-3H3,(H,18,21)
InChIKeyFWVQIKUHRIWFRX-UHFFFAOYSA-N
XLogP1.21
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
2-amino-2-cyclopropyl-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 65122341
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547935
1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclohexan-1-ol
CID 83021990
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(1-hydroxycycloheptyl)methyl]morpholine-4-carboxamide
CID 78993303

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide (CID 111538987) is N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide is CN1CCN(C(C)(C)C(=O)NCC2(O)CCCCCC2)CC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is FWVQIKUHRIWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-16(2,20-12-10-19(3)11-13-20)15(21)18-14-17(22)8-6-4-5-7-9-17/h22H,4-14H2,1-3H3,(H,18,21).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide?
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 311.47 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 111538987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).