1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

C22H29N3O2 — CID 118302750

IUPAC1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C22H29N3O2/c1-27-16-21(15-24-19-13-18(19)17-5-3-2-4-6-17)9-11-25(12-10-21)20(26)22(14-23)7-8-22/h2-6,18-19,24H,7-13,15-16H2,1H3/t18?,19-/m1/s1
InChIKeyZBPAYLBHWULFPT-MUMRKEEXSA-N
MW367.49 g/mol
LogP2.69
Rot. Bonds7

About 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 118302750) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID118302750
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C22H29N3O2/c1-27-16-21(15-24-19-13-18(19)17-5-3-2-4-6-17)9-11-25(12-10-21)20(26)22(14-23)7-8-22/h2-6,18-19,24H,7-13,15-16H2,1H3/t18?,19-/m1/s1
InChIKeyZBPAYLBHWULFPT-MUMRKEEXSA-N
XLogP2.69
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 118302750) is 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)C2(C#N)CC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is ZBPAYLBHWULFPT-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-16-21(15-24-19-13-18(19)17-5-3-2-4-6-17)9-11-25(12-10-21)20(26)22(14-23)7-8-22/h2-6,18-19,24H,7-13,15-16H2,1H3/t18?,19-/m1/s1.
What are the key properties of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 367.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 118302750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).