N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide

C21H40N4O2 — CID 126769642

IUPACN-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CC(=O)NC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H40N4O2/c1-15(2)17(5)22-21(27)18-6-10-24(11-7-18)14-20(26)23-19-8-12-25(13-9-19)16(3)4/h15-19H,6-14H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyYJZQZCSSGAAUCZ-UHFFFAOYSA-N
MW380.58 g/mol
LogP1.85
Rot. Bonds7

About N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide

N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 126769642) has the molecular formula C21H40N4O2 and a molecular weight of 380.58 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide
PubChem CID126769642
Molecular FormulaC21H40N4O2
Molecular Weight380.58 g/mol
Exact Mass380.32
IUPAC NameN-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CC(=O)NC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H40N4O2/c1-15(2)17(5)22-21(27)18-6-10-24(11-7-18)14-20(26)23-19-8-12-25(13-9-19)16(3)4/h15-19H,6-14H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyYJZQZCSSGAAUCZ-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 126787947
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
N-(4,4-difluorocyclohexyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 171662917
2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 124726575
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide
CID 47057659
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide (CID 126769642) is N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(CC(=O)NC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is YJZQZCSSGAAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O2/c1-15(2)17(5)22-21(27)18-6-10-24(11-7-18)14-20(26)23-19-8-12-25(13-9-19)16(3)4/h15-19H,6-14H2,1-5H3,(H,22,27)(H,23,26).
What are the key properties of N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide?
N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 380.58 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126769642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).