2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide

C18H35N3O2 — CID 71999745

IUPAC2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC1CCC(O)(CN2CCN(C(C)C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-14(2)19-17(22)16(4)21-11-9-20(10-12-21)13-18(23)7-5-15(3)6-8-18/h14-16,23H,5-13H2,1-4H3,(H,19,22)
InChIKeyIKOXURHZKAXBGT-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.46
Rot. Bonds5

About 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 71999745) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID71999745
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC1CCC(O)(CN2CCN(C(C)C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-14(2)19-17(22)16(4)21-11-9-20(10-12-21)13-18(23)7-5-15(3)6-8-18/h14-16,23H,5-13H2,1-4H3,(H,19,22)
InChIKeyIKOXURHZKAXBGT-UHFFFAOYSA-N
XLogP1.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 95129102
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344457
4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 111462447
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95302580
2-(4-acetylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 55258721
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 127681814
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344677

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide (CID 71999745) is 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide is CC1CCC(O)(CN2CCN(C(C)C(=O)NC(C)C)CC2)CC1.
What is the InChIKey of 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is IKOXURHZKAXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(2)19-17(22)16(4)21-11-9-20(10-12-21)13-18(23)7-5-15(3)6-8-18/h14-16,23H,5-13H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 325.50 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 71999745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).