N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide

C17H31N3O3 — CID 91787682

IUPACN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1CCOC[C@H]1OCC1CC1)C1CCNCC1
InChIInChI=1S/C17H31N3O3/c1-20(14-4-7-18-8-5-14)10-17(21)19-15-6-9-22-12-16(15)23-11-13-2-3-13/h13-16,18H,2-12H2,1H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyRAUCGKVQEXBQNP-HZPDHXFCSA-N
MW325.45 g/mol
LogP0.37
Rot. Bonds7

About N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide

N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 91787682) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID91787682
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1CCOC[C@H]1OCC1CC1)C1CCNCC1
InChIInChI=1S/C17H31N3O3/c1-20(14-4-7-18-8-5-14)10-17(21)19-15-6-9-22-12-16(15)23-11-13-2-3-13/h13-16,18H,2-12H2,1H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyRAUCGKVQEXBQNP-HZPDHXFCSA-N
XLogP0.37
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 91787682) is N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide is CN(CC(=O)N[C@@H]1CCOC[C@H]1OCC1CC1)C1CCNCC1.
What is the InChIKey of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is RAUCGKVQEXBQNP-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-20(14-4-7-18-8-5-14)10-17(21)19-15-6-9-22-12-16(15)23-11-13-2-3-13/h13-16,18H,2-12H2,1H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 325.45 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 91787682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).