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

C16H33N3O — CID 63241398

IUPACN-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C)NCC1CCCN(C(C)C(=O)NC(C)(C)C)C1
InChIInChI=1S/C16H33N3O/c1-12(2)17-10-14-8-7-9-19(11-14)13(3)15(20)18-16(4,5)6/h12-14,17H,7-11H2,1-6H3,(H,18,20)
InChIKeyVAPKMJGJRCRXHM-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds5

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

N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63241398) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63241398
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C)NCC1CCCN(C(C)C(=O)NC(C)(C)C)C1
InChIInChI=1S/C16H33N3O/c1-12(2)17-10-14-8-7-9-19(11-14)13(3)15(20)18-16(4,5)6/h12-14,17H,7-11H2,1-6H3,(H,18,20)
InChIKeyVAPKMJGJRCRXHM-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
CID 100906903
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 94154347
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide (CID 63241398) is N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide is CC(C)NCC1CCCN(C(C)C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is VAPKMJGJRCRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)17-10-14-8-7-9-19(11-14)13(3)15(20)18-16(4,5)6/h12-14,17H,7-11H2,1-6H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide?
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 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-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63241398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).