N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide

C15H27N3O2 — CID 112730369

IUPACN-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCC(C)(C)NCC(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)16-10-13(19)18-8-6-12(7-9-18)17-14(20)11-4-5-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyBXHNKBGVIULWFR-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds4

About N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 112730369) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID112730369
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCC(C)(C)NCC(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)16-10-13(19)18-8-6-12(7-9-18)17-14(20)11-4-5-11/h11-12,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyBXHNKBGVIULWFR-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231
2-(tert-butylamino)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 49488670
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
CID 131939521
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide (CID 112730369) is N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide is CC(C)(C)NCC(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is BXHNKBGVIULWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)16-10-13(19)18-8-6-12(7-9-18)17-14(20)11-4-5-11/h11-12,16H,4-10H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112730369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).