3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one

C15H28N2O3 — CID 115585636

IUPAC3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNCC(O)COCC1CC1)N1CCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(12-20-11-13-4-5-13)10-16-7-6-15(19)17-8-2-1-3-9-17/h13-14,16,18H,1-12H2
InChIKeyYTTLUFRXHDNYMM-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.77
Rot. Bonds9

About 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one

3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115585636) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID115585636
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNCC(O)COCC1CC1)N1CCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(12-20-11-13-4-5-13)10-16-7-6-15(19)17-8-2-1-3-9-17/h13-14,16,18H,1-12H2
InChIKeyYTTLUFRXHDNYMM-UHFFFAOYSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683120
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518339
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one (CID 115585636) is 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNCC(O)COCC1CC1)N1CCCCC1.
What is the InChIKey of 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YTTLUFRXHDNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14(12-20-11-13-4-5-13)10-16-7-6-15(19)17-8-2-1-3-9-17/h13-14,16,18H,1-12H2.
What are the key properties of 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one?
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 284.40 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115585636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).