2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide

C15H27N3O — CID 63849612

IUPAC2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCC(CNCCC)CC1
InChIInChI=1S/C15H27N3O/c1-4-8-16-12-14-6-10-18(11-7-14)13(3)15(19)17-9-5-2/h2,13-14,16H,4,6-12H2,1,3H3,(H,17,19)
InChIKeyOLVHUUAJONTRDD-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.84
Rot. Bonds7

About 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide

2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide (PubChem CID 63849612) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
PubChem CID63849612
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCC(CNCCC)CC1
InChIInChI=1S/C15H27N3O/c1-4-8-16-12-14-6-10-18(11-7-14)13(3)15(19)17-9-5-2/h2,13-14,16H,4,6-12H2,1,3H3,(H,17,19)
InChIKeyOLVHUUAJONTRDD-UHFFFAOYSA-N
XLogP0.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
CID 79609150
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide (CID 63849612) is 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCC(CNCCC)CC1.
What is the InChIKey of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide?
The InChIKey is OLVHUUAJONTRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-16-12-14-6-10-18(11-7-14)13(3)15(19)17-9-5-2/h2,13-14,16H,4,6-12H2,1,3H3,(H,17,19).
What are the key properties of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide?
2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 63849612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).