N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide

C16H33N3O — CID 60818780

IUPACN-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
SMILESCCCNC1CCN(C(C)C(=O)NC(CC)CC)CC1
InChIInChI=1S/C16H33N3O/c1-5-10-17-15-8-11-19(12-9-15)13(4)16(20)18-14(6-2)7-3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyKBZYIPPJIOMOHX-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.14
Rot. Bonds8

About N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide

N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide (PubChem CID 60818780) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
PubChem CID60818780
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
SMILESCCCNC1CCN(C(C)C(=O)NC(CC)CC)CC1
InChIInChI=1S/C16H33N3O/c1-5-10-17-15-8-11-19(12-9-15)13(4)16(20)18-14(6-2)7-3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyKBZYIPPJIOMOHX-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 114507963
N-cyclopentyl-2-[4-(ethylamino)piperidin-1-yl]propanamide
CID 54923819
(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
CID 95784085
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
CID 79609150
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide (CID 60818780) is N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide is CCCNC1CCN(C(C)C(=O)NC(CC)CC)CC1.
What is the InChIKey of N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide?
The InChIKey is KBZYIPPJIOMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-10-17-15-8-11-19(12-9-15)13(4)16(20)18-14(6-2)7-3/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide?
N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 60818780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).