2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide

C15H31N3O — CID 63847727

IUPAC2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-8-16-15(19)13(4)18-9-6-14(7-10-18)11-17-12(2)3/h12-14,17H,5-11H2,1-4H3,(H,16,19)
InChIKeyUBKSBQPWRAPHCN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds7

About 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide

2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide (PubChem CID 63847727) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
PubChem CID63847727
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-8-16-15(19)13(4)18-9-6-14(7-10-18)11-17-12(2)3/h12-14,17H,5-11H2,1-4H3,(H,16,19)
InChIKeyUBKSBQPWRAPHCN-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849612
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide (CID 63847727) is 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCC(CNC(C)C)CC1.
What is the InChIKey of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide?
The InChIKey is UBKSBQPWRAPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-8-16-15(19)13(4)18-9-6-14(7-10-18)11-17-12(2)3/h12-14,17H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide?
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide has a molecular weight of 269.43 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-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 63847727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).