N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C19H35N3O2 — CID 45206036

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)NCC3(C)COC3)C2)CC1
InChIInChI=1S/C19H35N3O2/c1-15(2)21-9-6-17(7-10-21)22-8-4-5-16(11-22)18(23)20-12-19(3)13-24-14-19/h15-17H,4-14H2,1-3H3,(H,20,23)
InChIKeyGGGIPPLGBGKSNI-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.72
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 45206036) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID45206036
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)NCC3(C)COC3)C2)CC1
InChIInChI=1S/C19H35N3O2/c1-15(2)21-9-6-17(7-10-21)22-8-4-5-16(11-22)18(23)20-12-19(3)13-24-14-19/h15-17H,4-14H2,1-3H3,(H,20,23)
InChIKeyGGGIPPLGBGKSNI-UHFFFAOYSA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 45206036) is N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(N2CCCC(C(=O)NCC3(C)COC3)C2)CC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is GGGIPPLGBGKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15(2)21-9-6-17(7-10-21)22-8-4-5-16(11-22)18(23)20-12-19(3)13-24-14-19/h15-17H,4-14H2,1-3H3,(H,20,23).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45206036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).