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

C16H31N3O — CID 63847374

IUPACN-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-4-9-17-16(20)13(2)19-10-7-14(8-11-19)12-18-15-5-6-15/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyNYUQHXYGUUEQQJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds8

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

N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63847374) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63847374
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-4-9-17-16(20)13(2)19-10-7-14(8-11-19)12-18-15-5-6-15/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyNYUQHXYGUUEQQJ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 55257971
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide (CID 63847374) is N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCC(CNC2CC2)CC1.
What is the InChIKey of N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is NYUQHXYGUUEQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-4-9-17-16(20)13(2)19-10-7-14(8-11-19)12-18-15-5-6-15/h13-15,18H,3-12H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide?
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63847374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).