2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

C26H37N5O2 — CID 118297897

IUPAC2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESCOC1CCN(C(=O)N2CC(CC#N)(N3CCC(N[C@@H]4CC4c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C26H37N5O2/c1-33-22-9-13-29(14-10-22)25(32)30-18-26(19-30,11-12-27)31-15-7-21(8-16-31)28-24-17-23(24)20-5-3-2-4-6-20/h2-6,21-24,28H,7-11,13-19H2,1H3/t23?,24-/m1/s1
InChIKeyJDOVUIRQPWAANN-XMMISQBUSA-N
MW451.62 g/mol
LogP2.80
Rot. Bonds6

About 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118297897) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118297897
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESCOC1CCN(C(=O)N2CC(CC#N)(N3CCC(N[C@@H]4CC4c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C26H37N5O2/c1-33-22-9-13-29(14-10-22)25(32)30-18-26(19-30,11-12-27)31-15-7-21(8-16-31)28-24-17-23(24)20-5-3-2-4-6-20/h2-6,21-24,28H,7-11,13-19H2,1H3/t23?,24-/m1/s1
InChIKeyJDOVUIRQPWAANN-XMMISQBUSA-N
XLogP2.80
TPSA71.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile with MolForge

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Related Compounds

US9670210, Example 12 1-[(3-{[(trans-2-Phenylcyclopropyl)amino]methyl}azetidin-1-yl)carbonyl]piperidine-4-carbonitrile
CID 118290801
US9670210, Example 15 N-({1-[(3-Methoxypiperidin-1-yl)carbonyl]azetidin-3-yl}methyl)-trans-2-phenylcyclopropanamine
CID 118290900
US9994546, Example 24
CID 118292251
US9994546, Example 23
CID 118292254
US9994546, Example 8
CID 118292305
US9994546, Example 22
CID 118292330
US9994546, Example 41
CID 118292370
US9994546, Example 6
CID 118292488
US9994546, Example 86
CID 118297858
US9994546, Example 87
CID 118297861
US9994546, Example 89
CID 118297862
US9994546, Example 75
CID 118297889

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (CID 118297897) is 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is COC1CCN(C(=O)N2CC(CC#N)(N3CCC(N[C@@H]4CC4c4ccccc4)CC3)C2)CC1.
What is the InChIKey of 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is JDOVUIRQPWAANN-XMMISQBUSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-33-22-9-13-29(14-10-22)25(32)30-18-26(19-30,11-12-27)31-15-7-21(8-16-31)28-24-17-23(24)20-5-3-2-4-6-20/h2-6,21-24,28H,7-11,13-19H2,1H3/t23?,24-/m1/s1.
What are the key properties of 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 451.62 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxypiperidine-1-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118297897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).