N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide

C17H35N3O — CID 63847901

IUPACN-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-7-17(5,6)19-16(21)14(4)20-10-8-15(9-11-20)12-18-13(2)3/h13-15,18H,7-12H2,1-6H3,(H,19,21)
InChIKeyAHNZBOXPRFHZIL-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.39
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide

N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63847901) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63847901
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-7-17(5,6)19-16(21)14(4)20-10-8-15(9-11-20)12-18-13(2)3/h13-15,18H,7-12H2,1-6H3,(H,19,21)
InChIKeyAHNZBOXPRFHZIL-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
CID 119909909
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 60975769
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 63874811

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide (CID 63847901) is N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide is CCC(C)(C)NC(=O)C(C)N1CCC(CNC(C)C)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is AHNZBOXPRFHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-7-17(5,6)19-16(21)14(4)20-10-8-15(9-11-20)12-18-13(2)3/h13-15,18H,7-12H2,1-6H3,(H,19,21).
What are the key properties of N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63847901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).