2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide

C16H31N3O — CID 63848084

IUPAC2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)10-18-16(20)13(3)19-8-6-14(7-9-19)11-17-15-4-5-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyIJSUZXGCKBKRPQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds7

About 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide

2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 63848084) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID63848084
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-12(2)10-18-16(20)13(3)19-8-6-14(7-9-19)11-17-15-4-5-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyIJSUZXGCKBKRPQ-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 60820142
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 55257971
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848440
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119926842

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide (CID 63848084) is 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is IJSUZXGCKBKRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)10-18-16(20)13(3)19-8-6-14(7-9-19)11-17-15-4-5-15/h12-15,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 63848084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).