N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide

C16H31N3O — CID 63847259

IUPACN-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C16H31N3O/c1-12(15(20)18-16(2,3)4)19-9-5-6-13(11-19)10-17-14-7-8-14/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyIECFQAIBDYERMU-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.75
Rot. Bonds5

About N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide

N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63847259) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63847259
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C16H31N3O/c1-12(15(20)18-16(2,3)4)19-9-5-6-13(11-19)10-17-14-7-8-14/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyIECFQAIBDYERMU-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
CID 106813810
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 94154347
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]pentanoic acid
CID 83047700
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
CID 100906903
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide (CID 63847259) is N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide is CC(C(=O)NC(C)(C)C)N1CCCC(CNC2CC2)C1.
What is the InChIKey of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is IECFQAIBDYERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(15(20)18-16(2,3)4)19-9-5-6-13(11-19)10-17-14-7-8-14/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63847259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).